5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide

C25H21ClF3N3O — CID 19852619

IUPAC5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CC(C)(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H21ClF3N3O/c1-16-14-19(25(27,28)29)10-13-21(16)30-23(33)32-15-24(2,18-6-4-3-5-7-18)22(31-32)17-8-11-20(26)12-9-17/h3-14H,15H2,1-2H3,(H,30,33)
InChIKeyFVWQFDHDAULSOY-UHFFFAOYSA-N
MW471.91 g/mol
LogP6.88
Rot. Bonds3

About 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide

5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide (PubChem CID 19852619) has the molecular formula C25H21ClF3N3O and a molecular weight of 471.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide
PubChem CID19852619
Molecular FormulaC25H21ClF3N3O
Molecular Weight471.91 g/mol
Exact Mass471.13
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CC(C)(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C25H21ClF3N3O/c1-16-14-19(25(27,28)29)10-13-21(16)30-23(33)32-15-24(2,18-6-4-3-5-7-18)22(31-32)17-8-11-20(26)12-9-17/h3-14H,15H2,1-2H3,(H,30,33)
InChIKeyFVWQFDHDAULSOY-UHFFFAOYSA-N
XLogP6.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.91
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide (CID 19852619) is 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide is Cc1cc(C(F)(F)F)ccc1NC(=O)N1CC(C)(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide?
The InChIKey is FVWQFDHDAULSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O/c1-16-14-19(25(27,28)29)10-13-21(16)30-23(33)32-15-24(2,18-6-4-3-5-7-18)22(31-32)17-8-11-20(26)12-9-17/h3-14H,15H2,1-2H3,(H,30,33).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide has a molecular weight of 471.91 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-phenyl-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 19852619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).