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

C5H7N3O2 — CID 45084159

IUPAC2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(N)=O)cc1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(7-8)5(6)10/h2,7H,1H3,(H2,6,10)
InChIKeyFCYJNKPRMXCEEL-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.19
Rot. Bonds1

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

2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 45084159) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID45084159
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(N)=O)cc1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2-3(7-8)5(6)10/h2,7H,1H3,(H2,6,10)
InChIKeyFCYJNKPRMXCEEL-UHFFFAOYSA-N
XLogP-1.19
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 45084159) is 2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(N)=O)cc1=O.
What is the InChIKey of 2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is FCYJNKPRMXCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-4(9)2-3(7-8)5(6)10/h2,7H,1H3,(H2,6,10).
What are the key properties of 2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45084159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).