1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

C20H18F3N3O — CID 91239685

IUPAC1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)18-8-4-7-15(11-18)9-10-24-19(27)17-12-25-26(14-17)13-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2,(H,24,27)
InChIKeyDUFFRUAJNZLKDW-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.92
Rot. Bonds6

About 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 91239685) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID91239685
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H18F3N3O/c21-20(22,23)18-8-4-7-15(11-18)9-10-24-19(27)17-12-25-26(14-17)13-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2,(H,24,27)
InChIKeyDUFFRUAJNZLKDW-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-one
CID 62728193
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 91239685) is 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is O=C(NCCc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is DUFFRUAJNZLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c21-20(22,23)18-8-4-7-15(11-18)9-10-24-19(27)17-12-25-26(14-17)13-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2,(H,24,27).
What are the key properties of 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91239685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).