[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone

C15H9F3N2OS — CID 11381672

IUPAC[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKeySYEAPSOVXJMFMP-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.32
Rot. Bonds2

About [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone

[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 11381672) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone
PubChem CID11381672
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)n1nc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H
InChIKeySYEAPSOVXJMFMP-UHFFFAOYSA-N
XLogP4.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone (CID 11381672) is [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)n1nc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SYEAPSOVXJMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)19-20(13)14(21)12-7-4-8-22-12/h1-9H.
What are the key properties of [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone?
[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 322.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 11381672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).