chempirical

3,5-Dimethyl-1H-pyrazole-1-carboxamide

C6H9N3OCAS 934-48-5139.16 g/mol

Open in Covalent MOL file
NNH2ON

Properties

Molecular formula
C6H9N3O
Molar mass
139.16 g/mol
Exact mass
139.0746 Da
Melting point
107–108 °C
logP
0.84Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
934-48-5
SMILES
Cc1cc(C)n(C(=N)O)n1
InChIKey
AKRDSDDYNMVKCX-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)

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Names and synonyms

9 names
  • 1H-Pyrazole-1-carboxamide, 3,5-dimethyl-
  • Pyrazole-1-carboxamide, 3,5-dimethyl-
  • 3,5-Dimethylpyrazole-1-carboxamide
  • 1-Carbamido-3,5-dimethylpyrazole
  • 1-Carbamoyl-3,5-dimethylpyrazole
  • 3,5-Dimethyl-1-carbamidopyrazole
  • NSC 51106
  • NSC 56168
  • NSC 70738

Work with 3,5-Dimethyl-1H-pyrazole-1-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Carbamoyl-3-methylpyrazole873-50-747 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-443 % similar 1,3,5-Trimethylpyrazole1072-91-942 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-142 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-437 % similar 3,5-Dimethyl-1H-pyrazole-1-propanamine62821-89-034 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-231 % similar 2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-8 2,3-Diamino-6-methoxypyridine28020-38-4 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-9 Toxopyrimidine73-67-6

Elsewhere

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