N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H11ClF3N3O — CID 2807979

IUPACN-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H11ClF3N3O/c18-11-6-8-12(9-7-11)23-16(25)14-10-22-24(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H,23,25)
InChIKeyBKVBKXYCDGGCEH-UHFFFAOYSA-N
MW365.74 g/mol
LogP4.80
Rot. Bonds3

About N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 2807979) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID2807979
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC NameN-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H11ClF3N3O/c18-11-6-8-12(9-7-11)23-16(25)14-10-22-24(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H,23,25)
InChIKeyBKVBKXYCDGGCEH-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
1-(4-chlorophenyl)-N-[4-(furan-2-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46536598
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
CID 58866199

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 2807979) is N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BKVBKXYCDGGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-11-6-8-12(9-7-11)23-16(25)14-10-22-24(15(14)17(19,20)21)13-4-2-1-3-5-13/h1-10H,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 365.74 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2807979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).