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

C8H12FN3O — CID 127000229

IUPAC2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H12FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,1-2H3,(H,10,11)(H,12,13)
InChIKeyYQIQDCSLXNIGLY-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.34
Rot. Bonds3

About 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide

2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 127000229) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID127000229
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H12FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,1-2H3,(H,10,11)(H,12,13)
InChIKeyYQIQDCSLXNIGLY-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-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
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide (CID 127000229) is 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide is CC(C)C(F)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is YQIQDCSLXNIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 185.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 127000229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).