5-methylpyrazole-1-carboxamide

C5H7N3O — CID 2753081

IUPAC5-methylpyrazole-1-carboxamide
SMILESCc1ccnn1C(N)=O
InChIInChI=1S/C5H7N3O/c1-4-2-3-7-8(4)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyAXPDLWRIJDQUBT-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.12
Rot. Bonds

About 5-methylpyrazole-1-carboxamide

5-methylpyrazole-1-carboxamide (PubChem CID 2753081) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-methylpyrazole-1-carboxamide
PubChem CID2753081
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-methylpyrazole-1-carboxamide
SMILESCc1ccnn1C(N)=O
InChIInChI=1S/C5H7N3O/c1-4-2-3-7-8(4)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyAXPDLWRIJDQUBT-UHFFFAOYSA-N
XLogP0.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
3-methyl-1H-pyrazole-1-carboximidamide
CID 14833242
3-methyl-1H-pyrazole-1-carboximidamide hydrochloride
CID 45261134
3,4-Dimethyl-1H-pyrazole-1-carboxamide
CID 12933277
5-methylpyrazole-S-carboxylic acid
CID 67484310
3-(Difluoromethyl)pyrazole-1-carboxamide
CID 57155417
5-(Difluoromethyl)pyrazole-1-carboxamide
CID 89977566
5-(Trifluoromethyl)pyrazole-1-carboxamide
CID 89977675
3-(Trifluoromethyl)pyrazole-1-carboxamide
CID 118051784
Methane;3-(trifluoromethyl)pyrazole-1-carboxamide
CID 129285718
3-Methylpyrazole-1-carboxylate
CID 152767702
3-Methyl-pyrazole-1-carbonyl chloride
CID 12566414

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrazole-1-carboxamide?
The IUPAC name of 5-methylpyrazole-1-carboxamide (CID 2753081) is 5-methylpyrazole-1-carboxamide.
What is the SMILES notation for 5-methylpyrazole-1-carboxamide?
The canonical SMILES for 5-methylpyrazole-1-carboxamide is Cc1ccnn1C(N)=O.
What is the InChIKey of 5-methylpyrazole-1-carboxamide?
The InChIKey is AXPDLWRIJDQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-4-2-3-7-8(4)5(6)9/h2-3H,1H3,(H2,6,9).
What are the key properties of 5-methylpyrazole-1-carboxamide?
5-methylpyrazole-1-carboxamide has a molecular weight of 125.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrazole-1-carboxamide is sourced from PubChem (CID 2753081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).