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1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid

1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid - CAS 113131-46-7

Name: 1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003111
Product Name:	1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
CAS:	113131-46-7
Synonyms:	1-ethyl-3-methyl-4-pyrazolecarboxylic acid; 1-ethyl-3-methylpyrazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-ethyl-3-methylpyrazole-4-carboxylic acid
Description:	1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid (CAS# 113131-46-7) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCN1C=C(C(=N1)C)C(=O)O
InChI:	InChI=1S/C7H10N2O2/c1-3-9-4-6(7(10)11)5(2)8-9/h4H,3H2,1-2H3,(H,10,11)
InChI Key:	DTJLXXLXQPOQBZ-UHFFFAOYSA-N
Boiling Point:	305.6 °C at 760 mmHg
Purity:	95 %
Density:	1.23 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	0.90960

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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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

Publication Number	Title	Priority Date
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
EP-3619209-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
WO-2018203298-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
US-10344026-B2	Compositions and methods of targeting mutant K-ras	20170118
US-2018201610-A1	Compositions and methods of targeting mutant k-ras	20170118

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5