N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C25H17ClF6N4O2 — CID 155402488

IUPACN-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C25H17ClF6N4O2/c1-35-20(10-22(34-35)25(30,31)32)19-7-6-18(9-21(19)37)36(13-14-2-4-17(26)5-3-14)23(38)15-8-16(12-33-11-15)24(27,28)29/h2-12,37H,13H2,1H3
InChIKeyQRMZURGDLIXERM-UHFFFAOYSA-N
MW554.88 g/mol
LogP6.73
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155402488) has the molecular formula C25H17ClF6N4O2 and a molecular weight of 554.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155402488
Molecular FormulaC25H17ClF6N4O2
Molecular Weight554.88 g/mol
Exact Mass554.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C25H17ClF6N4O2/c1-35-20(10-22(34-35)25(30,31)32)19-7-6-18(9-21(19)37)36(13-14-2-4-17(26)5-3-14)23(38)15-8-16(12-33-11-15)24(27,28)29/h2-12,37H,13H2,1H3
InChIKeyQRMZURGDLIXERM-UHFFFAOYSA-N
XLogP6.73
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.88
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-fluoro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyridine-3-carboxamide
CID 155402599
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
N-(2-aminoethyl)-3-chloro-N-[3-hydroxy-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402609
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501309
N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
CID 139759857
N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501441
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
CID 90393649
N-[(4-tert-butylphenyl)methyl]-5-chloro-2-(methylamino)-N-[2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 68701134
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
CID 153188718
[3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl] 2,3-dihydroxy-2-(hydroxymethyl)propanoate
CID 170766039

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 155402488) is N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2cncc(C(F)(F)F)c2)cc1O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QRMZURGDLIXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF6N4O2/c1-35-20(10-22(34-35)25(30,31)32)19-7-6-18(9-21(19)37)36(13-14-2-4-17(26)5-3-14)23(38)15-8-16(12-33-11-15)24(27,28)29/h2-12,37H,13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 554.88 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).