N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

C24H30FN3O — CID 25230523

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-4-5-9-16-28-22(18-10-7-6-8-11-18)17-21(27-28)23(29)26-24(2,3)19-12-14-20(25)15-13-19/h6-8,10-15,22H,4-5,9,16-17H2,1-3H3,(H,26,29)
InChIKeySAGNQDHNPWPPAS-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.17
Rot. Bonds8

About N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230523) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230523
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H30FN3O/c1-4-5-9-16-28-22(18-10-7-6-8-11-18)17-21(27-28)23(29)26-24(2,3)19-12-14-20(25)15-13-19/h6-8,10-15,22H,4-5,9,16-17H2,1-3H3,(H,26,29)
InChIKeySAGNQDHNPWPPAS-UHFFFAOYSA-N
XLogP5.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-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-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 25230523) is N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NC(C)(C)c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is SAGNQDHNPWPPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-4-5-9-16-28-22(18-10-7-6-8-11-18)17-21(27-28)23(29)26-24(2,3)19-12-14-20(25)15-13-19/h6-8,10-15,22H,4-5,9,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).