[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C20H16N2O2S — CID 2973911

IUPAC[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C20H16N2O2S/c23-18-10-5-4-9-15(18)17-13-16(14-7-2-1-3-8-14)21-22(17)20(24)19-11-6-12-25-19/h1-12,17,23H,13H2
InChIKeyYOCHRCSMBNNZQG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.45
Rot. Bonds3

About [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 2973911) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID2973911
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1O
InChIInChI=1S/C20H16N2O2S/c23-18-10-5-4-9-15(18)17-13-16(14-7-2-1-3-8-14)21-22(17)20(24)19-11-6-12-25-19/h1-12,17,23H,13H2
InChIKeyYOCHRCSMBNNZQG-UHFFFAOYSA-N
XLogP4.45
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 2973911) is [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is YOCHRCSMBNNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-18-10-5-4-9-15(18)17-13-16(14-7-2-1-3-8-14)21-22(17)20(24)19-11-6-12-25-19/h1-12,17,23H,13H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 348.43 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2973911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).