Molecule

1621-91-6

AlkaPlorer ID: AK043291

Synonym: 'MLS001048880', 'SMR000387081'

IUPAC Name: 1H-pyrazole-5-carboxylic acid

SMILES: O=C(O)C1=NNC=C1

InChI: InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)

InChIKey: KOPFEFZSAMLEHK-UHFFFAOYSA-N

PubChem CID: 574310

CAS: 1621-91-6

LOTUS: LTS0275010

COCONUT: CNP0261181

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tedania anhelans	Tedania	Tedaniidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Molecule Weight: 112.088

TPSA？: 65.97999999999999

MolLogP？: 0.1078999999999998

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Equus caballus	Alcohol dehydrogenase	Inhibition	nan	%	10.1021/jm00190a005
Equus caballus	Alcohol dehydrogenase	Kd	6500000.0	nM	10.1021/jm00190a005
Homo sapiens	DNA polymerase iota	Potency	89125.1	nM	None
Homo sapiens	HM74 nicotinic acid GPCR	Activity	nan	None	10.1016/j.bmcl.2007.07.101
Homo sapiens	Hydroxycarboxylic acid receptor 2	EC50	776.25	nM	10.1016/j.bmcl.2007.07.101
Homo sapiens	Hydroxycarboxylic acid receptor 2	EC50	1000.0	nM	10.1016/j.bmcl.2007.07.101
Homo sapiens	Hydroxycarboxylic acid receptor 2	Efficacy	95.0	%	10.1016/j.bmcl.2007.07.101
Homo sapiens	Lysine-specific demethylase 4A	Potency	44668.4	nM	None
Homo sapiens	Lysine-specific demethylase 4C	IC50	200000.0	nM	10.1016/j.bmcl.2012.07.091
Homo sapiens	Lysine-specific demethylase 4C	Ki	200000.0	nM	10.1016/j.bmcl.2012.07.091
Rattus norvegicus	Hydroxycarboxylic acid receptor 2	Ki	594.0	nM	10.1021/jm030888c
Rattus norvegicus	Rattus norvegicus	EC50	16000.0	nM	10.1021/jm030888c
Rattus norvegicus	Rattus norvegicus	EC50	21500.0	nM	10.1021/jm030888c
Rattus norvegicus	Rattus norvegicus	RIA	78.5	%	10.1021/jm030888c
Rattus norvegicus	Rattus norvegicus	RIA	85.3	%	10.1021/jm030888c
Sus scrofa	D-amino-acid oxidase	IC50	100000.0	nM	10.1016/j.bmcl.2013.04.062