2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C18H13F4N3O — CID 134596217

IUPAC2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F4N3O/c19-15-7-2-1-4-12(15)10-17(26)23-16-8-9-25(24-16)14-6-3-5-13(11-14)18(20,21)22/h1-9,11H,10H2,(H,23,24,26)
InChIKeyJXOBIJZFCMVJDP-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 134596217) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID134596217
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F4N3O/c19-15-7-2-1-4-12(15)10-17(26)23-16-8-9-25(24-16)14-6-3-5-13(11-14)18(20,21)22/h1-9,11H,10H2,(H,23,24,26)
InChIKeyJXOBIJZFCMVJDP-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 134596217) is 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is O=C(Cc1ccccc1F)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is JXOBIJZFCMVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-15-7-2-1-4-12(15)10-17(26)23-16-8-9-25(24-16)14-6-3-5-13(11-14)18(20,21)22/h1-9,11H,10H2,(H,23,24,26).
What are the key properties of 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 363.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 134596217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).