1H-Pyrazole-4-carboxamide

CAT: 1266-JH685784Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH685784Size:1 Each

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CAS Number

437701-80-9

HS Code

2933990099

Stability

Stable under normal temperatures and pressures.

Molecular Formula

C4H5N3O

Molecular Weight

111.1

Product Name Synonym

Ethyl pyrazole-4-carboxylate

Chemical Information

1H-Pyrazole-4-carboxamide

CAS Number	437701-80-9
PubChem CID	17854756
IUPAC Name	1H-pyrazole-4-carboxamide
Molecular Formula	C4H5N3O
Molecular Weight	111.10
XLogP	-0.9
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

C1=C(C=NN1)C(=O)N

InChI

InChI=1S/C4H5N3O/c5-4(8)3-1-6-7-2-3/h1-2H,(H2,5,8)(H,6,7)

InChIKey

ZVXKYWHJBYIYNI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 437701-80-9

CID: 17854756

Formula: C4H5N3O

MW: 111.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	111.10
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	111.043261792
Monoisotopic Mass	111.043261792
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH916895	N, N-dimethyl-1H-pyrazole-3-carboxamide
JH856989	4- (methylsulfonyl) -1H-pyrazole
JH313496	4,5-dichloro-1H-pyrrole-2-carboxamide
JH241676	1H-pyrazole
JH798474	4- (3-bromophenyl) -1H-pyrazole
JH919925	3-Difluoromethyl-4-nitro-1H-pyrazole
JH913118	1-CYCLOPROPYL-1H-PYRAZOLE-4-CARBALDEHYDE
JH480753	3-Bromo-4-nitro-1H-pyrazole
JH87642	3-Amino-1H-pyrazole-4-carbonitrile
JH913269	1- (Difluoromethyl) -4-ethynyl-1H-pyrazole

Catalog	Name
OR94395-01	1H-Pyrazole-4-carboxamide
PBA20591-01	3-Nitro-1H-pyrazole-4-carboxamide
TRC-F696750-2.5G	3-(Formylamino)-1H-pyrazole-4-carboxamide
OR1005468	4-Chloro-1H-pyrazole-3-carboxamide
OR79611-01	N-methyl-1H-pyrazole-4-carboxamide
OR96695-01	4-Bromo-1H-pyrazole-3-carboxamide
abx181883-01	3-Amino-1H-pyrazole-4-carboxamide
OR91834-01	1-Methyl-1H-pyrazole-4-carboxamide
OR76204-01	1-Ethyl-1H-pyrazole-4-carboxamide
sc-490607	3- (Formylamino) -1H-pyrazole-4-carboxamide