1-Butyl-1H-pyrazole-5-carboxamide - CAS 1857222-31-1

Catalog:	BB051330
Product Name:	1-Butyl-1H-pyrazole-5-carboxamide
CAS:	1857222-31-1
Synonyms:	1H-Pyrazole-5-carboxamide, 1-butyl-

Technical Data

Computed Properties

IUPAC Name:	2-butylpyrazole-3-carboxamide
Molecular Weight:	167.21
Molecular Formula:	C8H13N3O
Canonical SMILES:	CCCCN1C(=CC=N1)C(=O)N
InChI:	InChI=1S/C8H13N3O/c1-2-3-6-11-7(8(9)12)4-5-10-11/h4-5H,2-3,6H2,1H3,(H2,9,12)
InChI Key:	ZTRABMDFJRQVNS-UHFFFAOYSA-N
Boiling Point:	356.9±15.0°C (Predicted)
Purity:	≥95%
Density:	1.18±0.1 g/cm3 (Predicted)

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Pyrazoles

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.105862047
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.105862047
Rotatable Bond Count:	4
Topological Polar Surface Area:	60.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6