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1-(2-Methoxyethyl)pyrazole-5-carboxylic Acid

1-(2-Methoxyethyl)pyrazole-5-carboxylic Acid - CAS 936249-31-9

Catalog:	BB040993
Product Name:	1-(2-Methoxyethyl)pyrazole-5-carboxylic Acid
CAS:	936249-31-9
Synonyms:	2-(2-methoxyethyl)-3-pyrazolecarboxylic acid; 2-(2-methoxyethyl)pyrazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-methoxyethyl)pyrazole-3-carboxylic acid
Description:	1-(2-Methoxyethyl)pyrazole-5-carboxylic Acid (CAS# 936249-31-9) is a useful research chemical.
Molecular Weight:	170.17
Molecular Formula:	C7H10N2O3
Canonical SMILES:	COCCN1C(=CC=N1)C(=O)O
InChI:	InChI=1S/C7H10N2O3/c1-12-5-4-9-6(7(10)11)2-3-8-9/h2-3H,4-5H2,1H3,(H,10,11)
InChI Key:	NSBGYSNAQPJLCA-UHFFFAOYSA-N
Boiling Point:	339.1±22.0 °C (760 mmHg)
Density:	1.28±0.1 g/cm³ (20 °C. 760 mmH g)
MDL:	MFCD09701570
LogP:	0.22770

Publication Number	Title	Priority Date
WO-2020166680-A1	7h-pyrrolo[2,3-d]pyrimidine-4-amine derivative	20190215
TW-202045509-A	7H-pyrrolo[2,3-d]pyrimidin-4-amine derivative	20190215
KR-20210116598-A	7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives	20190215
WO-2020043880-A1	Heterocyclic compounds as ahr modulators	20180831
EP-3843853-A1	Heterocyclic compounds as ahr modulators	20180831

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.06914219
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.06914219
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1