[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C21H17FN2OS — CID 3760620

IUPAC[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H17FN2OS/c1-14-8-10-15(11-9-14)18-13-19(16-5-2-3-6-17(16)22)24(23-18)21(25)20-7-4-12-26-20/h2-12,19H,13H2,1H3
InChIKeyVUADSUKEFCGGSV-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.19
Rot. Bonds3

About [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 3760620) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID3760620
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H17FN2OS/c1-14-8-10-15(11-9-14)18-13-19(16-5-2-3-6-17(16)22)24(23-18)21(25)20-7-4-12-26-20/h2-12,19H,13H2,1H3
InChIKeyVUADSUKEFCGGSV-UHFFFAOYSA-N
XLogP5.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 3760620) is [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is Cc1ccc(C2=NN(C(=O)c3cccs3)C(c3ccccc3F)C2)cc1.
What is the InChIKey of [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is VUADSUKEFCGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-14-8-10-15(11-9-14)18-13-19(16-5-2-3-6-17(16)22)24(23-18)21(25)20-7-4-12-26-20/h2-12,19H,13H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 364.45 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3760620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).