N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide

C16H20FN3O — CID 42686308

IUPACN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C
InChIInChI=1S/C16H20FN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXZOBYBKNKDCAEO-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.76
Rot. Bonds5

About N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide

N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42686308) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42686308
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C
InChIInChI=1S/C16H20FN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXZOBYBKNKDCAEO-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide 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

N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42686616
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686254
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
CID 42686255
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686272
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
CID 42686302
3,3-Dimethyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686494
N-{5-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}cyclopentanecarboxamide
CID 42686500
3-Methyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686503
N-{5-Propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686560
2-Methyl-N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686566

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42686308) is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C.
What is the InChIKey of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is XZOBYBKNKDCAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 289.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 42686308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).