2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C20H18F3N3O — CID 96508313

IUPAC2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O/c1-14(15-7-4-8-17(12-15)20(21,22)23)25-19(27)18-9-3-2-6-16(18)13-26-11-5-10-24-26/h2-12,14H,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWCJTWNTUVGCVAY-AWEZNQCLSA-N
MW373.38 g/mol
LogP4.44
Rot. Bonds5

About 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 96508313) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID96508313
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O/c1-14(15-7-4-8-17(12-15)20(21,22)23)25-19(27)18-9-3-2-6-16(18)13-26-11-5-10-24-26/h2-12,14H,13H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyWCJTWNTUVGCVAY-AWEZNQCLSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
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2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
CID 141400158
2-methyl-N-[2-[[N'-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111324103
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 96508313) is 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is WCJTWNTUVGCVAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-14(15-7-4-8-17(12-15)20(21,22)23)25-19(27)18-9-3-2-6-16(18)13-26-11-5-10-24-26/h2-12,14H,13H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 373.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 96508313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).