(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

C16H10F4N2OS — CID 58955847

IUPAC(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
SMILESCn1nc(-c2ccc(C(=O)c3ccc(F)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2OS/c1-22-14(16(18,19)20)8-11(21-22)12-6-7-13(24-12)15(23)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyPZUMJNPVTPDQQE-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.54
Rot. Bonds3

About (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 58955847) has the molecular formula C16H10F4N2OS and a molecular weight of 354.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
PubChem CID58955847
Molecular FormulaC16H10F4N2OS
Molecular Weight354.33 g/mol
Exact Mass354.04
IUPAC Name(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
SMILESCn1nc(-c2ccc(C(=O)c3ccc(F)cc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2OS/c1-22-14(16(18,19)20)8-11(21-22)12-6-7-13(24-12)15(23)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyPZUMJNPVTPDQQE-UHFFFAOYSA-N
XLogP4.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone (CID 58955847) is (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone is Cn1nc(-c2ccc(C(=O)c3ccc(F)cc3)s2)cc1C(F)(F)F.
What is the InChIKey of (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is PZUMJNPVTPDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2OS/c1-22-14(16(18,19)20)8-11(21-22)12-6-7-13(24-12)15(23)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 58955847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).