2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide

C19H15F4N3O — CID 146128761

IUPAC2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C19H15F4N3O/c20-17-15(7-4-8-16(17)19(21,22)23)18(27)24-11-9-13-10-12-26(25-13)14-5-2-1-3-6-14/h1-8,10,12H,9,11H2,(H,24,27)
InChIKeyDJWMKPWPBYPWNN-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.00
Rot. Bonds5

About 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 146128761) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID146128761
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C19H15F4N3O/c20-17-15(7-4-8-16(17)19(21,22)23)18(27)24-11-9-13-10-12-26(25-13)14-5-2-1-3-6-14/h1-8,10,12H,9,11H2,(H,24,27)
InChIKeyDJWMKPWPBYPWNN-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 146128761) is 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DJWMKPWPBYPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c20-17-15(7-4-8-16(17)19(21,22)23)18(27)24-11-9-13-10-12-26(25-13)14-5-2-1-3-6-14/h1-8,10,12H,9,11H2,(H,24,27).
What are the key properties of 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 377.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 146128761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).