1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C23H17ClF3N3O — CID 57458653

IUPAC1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H17ClF3N3O/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)28-22(31)20-13-21(23(25,26)27)29-30(20)19-12-5-4-11-18(19)24/h2-14H,1H3,(H,28,31)/t14-/m0/s1
InChIKeyVUXIQBZPBKIMBB-AWEZNQCLSA-N
MW443.86 g/mol
LogP6.19
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 57458653) has the molecular formula C23H17ClF3N3O and a molecular weight of 443.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID57458653
Molecular FormulaC23H17ClF3N3O
Molecular Weight443.86 g/mol
Exact Mass443.10
IUPAC Name1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H17ClF3N3O/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)28-22(31)20-13-21(23(25,26)27)29-30(20)19-12-5-4-11-18(19)24/h2-14H,1H3,(H,28,31)/t14-/m0/s1
InChIKeyVUXIQBZPBKIMBB-AWEZNQCLSA-N
XLogP6.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.86
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
CID 10389039
2-(6-Chloro-naphthalen-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
CID 21366654
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747053
5-(4-Chlorophenyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (12m)
CID 129010782
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorobenzyl)-1H-pyrazole-3-carboxamide
CID 46226268
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 127027049
X1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 3-benzylamide 5-phenylamide
CID 9824035
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid cyclohexylamide
CID 10367110
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 21366645
1-(2-Chlorophenyl)-n-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
CID 44404496
5-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-N-cyclopropyl-2-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 44451562
1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-N-(naphthalen-1-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 57458653) is 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VUXIQBZPBKIMBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17ClF3N3O/c1-14(16-10-6-8-15-7-2-3-9-17(15)16)28-22(31)20-13-21(23(25,26)27)29-30(20)19-12-5-4-11-18(19)24/h2-14H,1H3,(H,28,31)/t14-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).