5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide

C25H24ClN3O — CID 71451171

IUPAC5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(CC2CN(C(=O)Nc3ccccc3)N=C2c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H24ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h3-14,21H,15-16H2,1-2H3,(H,27,30)
InChIKeyMPSGYMNNAPVFRL-UHFFFAOYSA-N
MW417.94 g/mol
LogP6.07
Rot. Bonds4

About 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71451171) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71451171
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(CC2CN(C(=O)Nc3ccccc3)N=C2c2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C25H24ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h3-14,21H,15-16H2,1-2H3,(H,27,30)
InChIKeyMPSGYMNNAPVFRL-UHFFFAOYSA-N
XLogP6.07
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)-1-(4-chlorophenylcarbamoyl)-2-pyrazoline
CID 162606
N,3-Bis(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazole-1-carboxamide
CID 173664
1H-Pyrazole-1-carboxamide, 4,5-dihydro-N,3,4-tris(4-chlorophenyl)-
CID 3042082
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-4-phenyl-N-(4-(trifluoromethyl)phenyl)-
CID 3042085
5-(4-chloro-3-methylphenyl)-N-cyclohexyl-4-[(4-methylphenyl)methyl]-3,4-dihydropyrazole-2-carboxamide
CID 71451172
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-
CID 3042086
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-4-phenyl-N-(3-(trifluoromethyl)phenyl)-
CID 3042084
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-N-(4-iodophenyl)-
CID 3039558
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-N-(4-propylphenyl)-
CID 3039559
1H-Pyrazole-4-carboxamide, 4,5-dihydro-3,4-bis(4-chlorophenyl)-N-methyl-
CID 3047054
4-benzyl-5-(4-chloro-3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71451170
4-benzyl-5-(3-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71453003

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71451171) is 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(CC2CN(C(=O)Nc3ccccc3)N=C2c2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MPSGYMNNAPVFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-17-8-10-19(11-9-17)15-21-16-29(25(30)27-22-6-4-3-5-7-22)28-24(21)20-12-13-23(26)18(2)14-20/h3-14,21H,15-16H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-4-[(4-methylphenyl)methyl]-N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71451171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).