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

C5H7N3O2 — CID 10855552

IUPAC3-methyl-5-oxo-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(N)=O)C(=O)C1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2H2,1H3,(H2,6,10)
InChIKeyLQLZHYNOLPBEKL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.33
Rot. Bonds

About 3-methyl-5-oxo-4H-pyrazole-1-carboxamide

3-methyl-5-oxo-4H-pyrazole-1-carboxamide (PubChem CID 10855552) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-methyl-5-oxo-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-4H-pyrazole-1-carboxamide
PubChem CID10855552
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-methyl-5-oxo-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(N)=O)C(=O)C1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2H2,1H3,(H2,6,10)
InChIKeyLQLZHYNOLPBEKL-UHFFFAOYSA-N
XLogP-0.33
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-methyl-5-oxo-4H-pyrazole-1-carboxamide (CID 10855552) is 3-methyl-5-oxo-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-4H-pyrazole-1-carboxamide is CC1=NN(C(N)=O)C(=O)C1.
What is the InChIKey of 3-methyl-5-oxo-4H-pyrazole-1-carboxamide?
The InChIKey is LQLZHYNOLPBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(9)8(7-3)5(6)10/h2H2,1H3,(H2,6,10).
What are the key properties of 3-methyl-5-oxo-4H-pyrazole-1-carboxamide?
3-methyl-5-oxo-4H-pyrazole-1-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10855552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).