3-methyl-N-(1H-pyrazol-4-yl)butanamide

C8H13N3O — CID 20784813

IUPAC3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-8(12)11-7-4-9-10-5-7/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyMFPAWTMNNZDPQC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.39
Rot. Bonds3

About 3-methyl-N-(1H-pyrazol-4-yl)butanamide

3-methyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 20784813) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID20784813
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-8(12)11-7-4-9-10-5-7/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyMFPAWTMNNZDPQC-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(1H-pyrazol-4-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3-(4-methylpentan-2-yloxy)-N-(1H-pyrazol-4-yl)propanamide
CID 71922141
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2-[cyclopropyl(ethyl)amino]-N-(1H-pyrazol-4-yl)acetamide
CID 136517020
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-4-yl)butanamide (CID 20784813) is 3-methyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-4-yl)butanamide is CC(C)CC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is MFPAWTMNNZDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)3-8(12)11-7-4-9-10-5-7/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3-methyl-N-(1H-pyrazol-4-yl)butanamide?
3-methyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 167.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 20784813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).