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

C20H15FN2OS — CID 11703042

IUPAC[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2OS/c21-16-10-8-14(9-11-16)18-13-17(19-7-4-12-25-19)22-23(18)20(24)15-5-2-1-3-6-15/h1-12,18H,13H2
InChIKeyYLQGCRVAOAOYQS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.88
Rot. Bonds3

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

[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 11703042) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID11703042
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2OS/c21-16-10-8-14(9-11-16)18-13-17(19-7-4-12-25-19)22-23(18)20(24)15-5-2-1-3-6-15/h1-12,18H,13H2
InChIKeyYLQGCRVAOAOYQS-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 11703042) is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is YLQGCRVAOAOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-16-10-8-14(9-11-16)18-13-17(19-7-4-12-25-19)22-23(18)20(24)15-5-2-1-3-6-15/h1-12,18H,13H2.
What are the key properties of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 350.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 11703042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).