N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide

C9H15N3O2 — CID 110600693

IUPACN-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-12(2)9(14)7-6-8(13)11-10-7/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyHZVXJBFGOOJVRQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.58
Rot. Bonds4

About N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600693) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600693
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-5-12(2)9(14)7-6-8(13)11-10-7/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyHZVXJBFGOOJVRQ-UHFFFAOYSA-N
XLogP0.58
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-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-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600693) is N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is CCCCN(C)C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is HZVXJBFGOOJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-5-12(2)9(14)7-6-8(13)11-10-7/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).