(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

C20H16N2OS — CID 2856480

IUPAC(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKeyJIWPBHDLXKHUIY-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.74
Rot. Bonds3

About (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone

(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (PubChem CID 2856480) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
PubChem CID2856480
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2
InChIKeyJIWPBHDLXKHUIY-UHFFFAOYSA-N
XLogP4.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone (CID 2856480) is (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
The InChIKey is JIWPBHDLXKHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20(19-12-7-13-24-19)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-13,18H,14H2.
What are the key properties of (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone?
(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2856480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).