4-methyl-1H-pyrazole-5-carboxamide

C5H7N3O — CID 19376020

IUPAC4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(N)=O
InChIInChI=1S/C5H7N3O/c1-3-2-7-8-4(3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyOWBTYLSRODUZAK-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.18
Rot. Bonds1

About 4-methyl-1H-pyrazole-5-carboxamide

4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19376020) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-1H-pyrazole-5-carboxamide
PubChem CID19376020
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(N)=O
InChIInChI=1S/C5H7N3O/c1-3-2-7-8-4(3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyOWBTYLSRODUZAK-UHFFFAOYSA-N
XLogP-0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-1H-pyrazole-5-carboxamide (CID 19376020) is 4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is OWBTYLSRODUZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-3-2-7-8-4(3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8).
What are the key properties of 4-methyl-1H-pyrazole-5-carboxamide?
4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19376020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).