(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone

C20H15FN2OS — CID 71185163

IUPAC(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccc(-c3ccccc3)s2)=N1
InChIInChI=1S/C20H15FN2OS/c21-16-9-5-4-8-15(16)20(24)23-13-12-17(22-23)19-11-10-18(25-19)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyNWUCWKOLPLKOQI-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.80
Rot. Bonds3

About (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone

(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 71185163) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID71185163
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccc(-c3ccccc3)s2)=N1
InChIInChI=1S/C20H15FN2OS/c21-16-9-5-4-8-15(16)20(24)23-13-12-17(22-23)19-11-10-18(25-19)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyNWUCWKOLPLKOQI-UHFFFAOYSA-N
XLogP4.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone (CID 71185163) is (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccccc1F)N1CCC(c2ccc(-c3ccccc3)s2)=N1.
What is the InChIKey of (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is NWUCWKOLPLKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-16-9-5-4-8-15(16)20(24)23-13-12-17(22-23)19-11-10-18(25-19)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
(2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[5-(5-phenylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 71185163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).