N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide

C24H21Cl2N3OS — CID 14278899

IUPACN,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(CCSc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H21Cl2N3OS/c25-19-8-6-17(7-9-19)23-18(14-15-31-22-4-2-1-3-5-22)16-29(28-23)24(30)27-21-12-10-20(26)11-13-21/h1-13,18H,14-16H2,(H,27,30)
InChIKeyAWVVCYYUDLKJRO-UHFFFAOYSA-N
MW470.43 g/mol
LogP7.04
Rot. Bonds6

About N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide

N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14278899) has the molecular formula C24H21Cl2N3OS and a molecular weight of 470.43 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID14278899
Molecular FormulaC24H21Cl2N3OS
Molecular Weight470.43 g/mol
Exact Mass469.08
IUPAC NameN,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(CCSc2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H21Cl2N3OS/c25-19-8-6-17(7-9-19)23-18(14-15-31-22-4-2-1-3-5-22)16-29(28-23)24(30)27-21-12-10-20(26)11-13-21/h1-13,18H,14-16H2,(H,27,30)
InChIKeyAWVVCYYUDLKJRO-UHFFFAOYSA-N
XLogP7.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-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,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide (CID 14278899) is N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(CCSc2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is AWVVCYYUDLKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3OS/c25-19-8-6-17(7-9-19)23-18(14-15-31-22-4-2-1-3-5-22)16-29(28-23)24(30)27-21-12-10-20(26)11-13-21/h1-13,18H,14-16H2,(H,27,30).
What are the key properties of N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide?
N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 470.43 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-4-(2-phenylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).