1-Ethyl-1H-pyrazole-5-carboxylic acid - CAS 400755-43-3

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

Catalog:	BB024289
Product Name:	1-Ethyl-1H-pyrazole-5-carboxylic acid
CAS:	400755-43-3
Synonyms:	2-ethyl-3-pyrazolecarboxylic acid; 2-ethylpyrazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-ethylpyrazole-3-carboxylic acid
Description:	1-Ethyl-1H-pyrazole-5-carboxylic acid (CAS# 400755-43-3) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CCN1C(=CC=N1)C(=O)O
InChI:	InChI=1S/C6H8N2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4H,2H2,1H3,(H,9,10)
InChI Key:	FSMHDKRQCDWWGZ-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	0.60120

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094434-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
US-2021101886-A1	Il-17a modulators and uses thereof	20190916

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4