N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C22H16Cl3N3O — CID 19852175

IUPACN-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C22H16Cl3N3O/c23-16-7-9-17(10-8-16)26-22(29)28-13-18(14-4-2-1-3-5-14)21(27-28)15-6-11-19(24)20(25)12-15/h1-12,18H,13H2,(H,26,29)
InChIKeyTWYIWAJHNXQLIU-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.68
Rot. Bonds3

About N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 19852175) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID19852175
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC NameN-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C22H16Cl3N3O/c23-16-7-9-17(10-8-16)26-22(29)28-13-18(14-4-2-1-3-5-14)21(27-28)15-6-11-19(24)20(25)12-15/h1-12,18H,13H2,(H,26,29)
InChIKeyTWYIWAJHNXQLIU-UHFFFAOYSA-N
XLogP6.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-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

Related Compounds

(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
5-(4-chlorophenyl)-N-(3-methoxy-4-phenylsulfanylphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 45036589
5-(4-chlorophenyl)-N',N'-dimethyl-4-phenyl-3,4-dihydropyrazole-2-carbohydrazide
CID 50902304
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
5-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14277338
5-(4-bromo-3,5-difluoro-2-methoxyphenyl)-N-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 88757204
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 135164628

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 19852175) is N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is TWYIWAJHNXQLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c23-16-7-9-17(10-8-16)26-22(29)28-13-18(14-4-2-1-3-5-14)21(27-28)15-6-11-19(24)20(25)12-15/h1-12,18H,13H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 444.75 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 19852175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).