(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone

C20H14N2OS — CID 671972

IUPAC(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-20(18-12-7-13-24-18)17-14-22(16-10-5-2-6-11-16)21-19(17)15-8-3-1-4-9-15/h1-14H
InChIKeyYAGGYNREDSJREN-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.83
Rot. Bonds4

About (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone

(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone (PubChem CID 671972) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone
PubChem CID671972
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H14N2OS/c23-20(18-12-7-13-24-18)17-14-22(16-10-5-2-6-11-16)21-19(17)15-8-3-1-4-9-15/h1-14H
InChIKeyYAGGYNREDSJREN-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone (CID 671972) is (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone?
The InChIKey is YAGGYNREDSJREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c23-20(18-12-7-13-24-18)17-14-22(16-10-5-2-6-11-16)21-19(17)15-8-3-1-4-9-15/h1-14H.
What are the key properties of (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone?
(1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone has a molecular weight of 330.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 671972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).