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

C20H16N2O2S — CID 3511051

IUPAC[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-16-10-8-14(9-11-16)17-13-18(15-5-2-1-3-6-15)22(21-17)20(24)19-7-4-12-25-19/h1-12,18,23H,13H2
InChIKeyQWMMCZJIYDUMIN-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.45
Rot. Bonds3

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

[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 3511051) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID3511051
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-16-10-8-14(9-11-16)17-13-18(15-5-2-1-3-6-15)22(21-17)20(24)19-7-4-12-25-19/h1-12,18,23H,13H2
InChIKeyQWMMCZJIYDUMIN-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 3511051) is [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2ccc(O)cc2)CC1c1ccccc1.
What is the InChIKey of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is QWMMCZJIYDUMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-16-10-8-14(9-11-16)17-13-18(15-5-2-1-3-6-15)22(21-17)20(24)19-7-4-12-25-19/h1-12,18,23H,13H2.
What are the key properties of [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[5-(4-hydroxyphenyl)-3-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 [5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).