N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide

C6H9N3O2 — CID 12847992

IUPACN,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCNC(=O)n1[nH]c(C)cc1=O
InChIInChI=1S/C6H9N3O2/c1-4-3-5(10)9(8-4)6(11)7-2/h3,8H,1-2H3,(H,7,11)
InChIKeyHMZALWFEAUTUDJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds

About N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide

N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide (PubChem CID 12847992) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide
PubChem CID12847992
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide
SMILESCNC(=O)n1[nH]c(C)cc1=O
InChIInChI=1S/C6H9N3O2/c1-4-3-5(10)9(8-4)6(11)7-2/h3,8H,1-2H3,(H,7,11)
InChIKeyHMZALWFEAUTUDJ-UHFFFAOYSA-N
XLogP-0.33
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide (CID 12847992) is N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide is CNC(=O)n1[nH]c(C)cc1=O.
What is the InChIKey of N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is HMZALWFEAUTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-3-5(10)9(8-4)6(11)7-2/h3,8H,1-2H3,(H,7,11).
What are the key properties of N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide?
N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 12847992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).