[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone

C16H11F3N2O — CID 122205660

IUPAC[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(C(F)(F)F)cc1C1=CC=CC1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-10-13(11-6-4-5-7-11)21(20-14)15(22)12-8-2-1-3-9-12/h1-6,8-10H,7H2
InChIKeyFDVXEPLBDCXIAQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.93
Rot. Bonds2

About [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone

[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone (PubChem CID 122205660) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
PubChem CID122205660
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(C(F)(F)F)cc1C1=CC=CC1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-10-13(11-6-4-5-7-11)21(20-14)15(22)12-8-2-1-3-9-12/h1-6,8-10H,7H2
InChIKeyFDVXEPLBDCXIAQ-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone (CID 122205660) is [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1nc(C(F)(F)F)cc1C1=CC=CC1.
What is the InChIKey of [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone?
The InChIKey is FDVXEPLBDCXIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-10-13(11-6-4-5-7-11)21(20-14)15(22)12-8-2-1-3-9-12/h1-6,8-10H,7H2.
What are the key properties of [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone?
[5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone has a molecular weight of 304.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 122205660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).