N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide

C29H23F3N4O — CID 166921608

IUPACN-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CC(c2cncc(-c3ccccc3)c2)C=N1
InChIInChI=1S/C29H23F3N4O/c1-19-10-11-26(35-28(37)21-8-5-9-25(13-21)29(30,31)32)14-27(19)36-18-24(17-34-36)23-12-22(15-33-16-23)20-6-3-2-4-7-20/h2-17,24H,18H2,1H3,(H,35,37)
InChIKeyIDOLOSSCRWWUBD-UHFFFAOYSA-N
MW500.52 g/mol
LogP6.92
Rot. Bonds5

About N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 166921608) has the molecular formula C29H23F3N4O and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID166921608
Molecular FormulaC29H23F3N4O
Molecular Weight500.52 g/mol
Exact Mass500.18
IUPAC NameN-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CC(c2cncc(-c3ccccc3)c2)C=N1
InChIInChI=1S/C29H23F3N4O/c1-19-10-11-26(35-28(37)21-8-5-9-25(13-21)29(30,31)32)14-27(19)36-18-24(17-34-36)23-12-22(15-33-16-23)20-6-3-2-4-7-20/h2-17,24H,18H2,1H3,(H,35,37)
InChIKeyIDOLOSSCRWWUBD-UHFFFAOYSA-N
XLogP6.92
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[4-[5-(oxolan-3-ylmethoxy)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 166921619
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681
N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 172606293
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
N-cyclopropyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-oxoquinazoline-8-carboxamide
CID 69228839
N-[3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 69230195
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]boronic acid
CID 153485953

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 166921608) is N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CC(c2cncc(-c3ccccc3)c2)C=N1.
What is the InChIKey of N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IDOLOSSCRWWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O/c1-19-10-11-26(35-28(37)21-8-5-9-25(13-21)29(30,31)32)14-27(19)36-18-24(17-34-36)23-12-22(15-33-16-23)20-6-3-2-4-7-20/h2-17,24H,18H2,1H3,(H,35,37).
What are the key properties of N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 500.52 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 166921608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).