5-ethyl-1H-pyrazole-3-carboxylic acid - CAS 4027-59-2

Catalog:	BB024415
Product Name:	5-ethyl-1H-pyrazole-3-carboxylic acid
CAS:	4027-59-2
Synonyms:	5-ethyl-1H-pyrazole-3-carboxylic acid; 5-ethyl-1H-pyrazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-ethyl-1H-pyrazole-3-carboxylic acid
Description:	5-ethyl-1H-pyrazole-3-carboxylic acid (CAS# 4027-59-2) is a useful research chemical.
Molecular Weight:	140.142
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CCC1=CC(=NN1)C(=O)O
InChI:	InChI=1S/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key:	WCQYJWRMYFJLRQ-UHFFFAOYSA-N
Boiling Point:	385.5 °C at 760 mmHg
Density:	1.318 g/cm³
MDL:	MFCD06742804
LogP:	0.67030

Publication Number	Title	Priority Date
WO-2021010492-A1	Compound having kdm5 inhibitory activity and pharmaceutical use thereof	20190717
US-10376494-B2	Carboxamide derivative and its diastereomers in stable crystalline form	20150130
US-2019321333-A1	Carboxamide derivative and its diastereomers in stable crystalline form	20150130
CN-103508959-A	Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate	20131021
TW-201410653-A	Enkephalinase inhibitor	20120808

PMID	Publication Date	Title	Journal
17804224	20071015	Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a	Bioorganic & medicinal chemistry letters
17588745	20070901	Agonist lead identification for the high affinity niacin receptor GPR109a	Bioorganic & medicinal chemistry letters

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9