N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C23H18ClF2N3O2 — CID 13102611

IUPACN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H18ClF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30)
InChIKeyXBJXEKFQXHPCIC-UHFFFAOYSA-N
MW441.87 g/mol
LogP5.98
Rot. Bonds5

About N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13102611) has the molecular formula C23H18ClF2N3O2 and a molecular weight of 441.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID13102611
Molecular FormulaC23H18ClF2N3O2
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC NameN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C23H18ClF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30)
InChIKeyXBJXEKFQXHPCIC-UHFFFAOYSA-N
XLogP5.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.87
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-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-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 13102611) is N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is XBJXEKFQXHPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O2/c24-17-8-10-18(11-9-17)27-23(30)29-14-20(15-4-2-1-3-5-15)21(28-29)16-6-12-19(13-7-16)31-22(25)26/h1-13,20,22H,14H2,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 441.87 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13102611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).