3-Methyl-1-Pyrazolecarboxamide

CAT: 0127-OR1028601-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1028601-01Size:1 g

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CAS Number

873-50-7

Synonyms

3-methylpyrazole-1-carboxamide

Purity

97%

Smiles

CC1=NN(C=C1)C(=O)N

Chemical Information

1-Carbamoyl-3-methylpyrazole

CAS Number	873-50-7
PubChem CID	13392
IUPAC Name	N-(3-methylpyrazol-1-yl)formamide
Molecular Formula	C5H7N3O
Molecular Weight	125.13
XLogP	0.3
Topological Polar Surface Area	46.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	106

SMILES

CC1=NN(C=C1)NC=O

InChI

InChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9)

InChIKey

AJDAWQUQDDHYHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 873-50-7

CID: 13392

Formula: C5H7N3O

MW: 125.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.13
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.058911855
Monoisotopic Mass	125.058911855
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	106
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

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Catalog	Name
sc-252025	3-Methyl-1-pyrazolecarboxamide
sc-225937	3-Amino-4-pyrazolecarboxamide hemisulfate salt
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A28350-01	5-Amino-4-pyrazolecarboxamide hemisulfate
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BPC04572-01	3-Methyl-1-[ (1,3-thiazol-2-yl) methyl]urea
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AR-T01413-01	3-methyl-1,1-diphenylurea