2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C9H15N3O — CID 60735814

IUPAC2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-7(2)9(13)10-4-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJDWNJZGJRBGSGZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 60735814) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID60735814
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-3-7(2)9(13)10-4-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJDWNJZGJRBGSGZ-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(1H-pyrazol-4-ylmethyl)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

2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid
CID 65287655
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 60735814) is 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CCC(C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is JDWNJZGJRBGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(2)9(13)10-4-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 60735814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).