5-methyl-3-oxo-1H-pyrazole-2-carboxamide

C5H7N3O2 — CID 4141303

IUPAC5-methyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCc1cc(=O)n(C(N)=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2,7H,1H3,(H2,6,10)
InChIKeyWLTWFLRTZOESNJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.59
Rot. Bonds

About 5-methyl-3-oxo-1H-pyrazole-2-carboxamide

5-methyl-3-oxo-1H-pyrazole-2-carboxamide (PubChem CID 4141303) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-methyl-3-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-oxo-1H-pyrazole-2-carboxamide
PubChem CID4141303
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-methyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCc1cc(=O)n(C(N)=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2,7H,1H3,(H2,6,10)
InChIKeyWLTWFLRTZOESNJ-UHFFFAOYSA-N
XLogP-0.59
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of 5-methyl-3-oxo-1H-pyrazole-2-carboxamide (CID 4141303) is 5-methyl-3-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-3-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-3-oxo-1H-pyrazole-2-carboxamide is Cc1cc(=O)n(C(N)=O)[nH]1.
What is the InChIKey of 5-methyl-3-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is WLTWFLRTZOESNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2,7H,1H3,(H2,6,10).
What are the key properties of 5-methyl-3-oxo-1H-pyrazole-2-carboxamide?
5-methyl-3-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 4141303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).