4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one

C20H16N2OS — CID 147144621

IUPAC4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2cccs2)=NN1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-17(14-15-8-3-1-4-9-15)19(18-12-7-13-24-18)21-22(20)16-10-5-2-6-11-16/h1-13,17H,14H2
InChIKeyBSULECWVFHLAIS-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.36
Rot. Bonds4

About 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one

4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one (PubChem CID 147144621) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one
PubChem CID147144621
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2cccs2)=NN1c1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-17(14-15-8-3-1-4-9-15)19(18-12-7-13-24-18)21-22(20)16-10-5-2-6-11-16/h1-13,17H,14H2
InChIKeyBSULECWVFHLAIS-UHFFFAOYSA-N
XLogP4.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one?
The IUPAC name of 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one (CID 147144621) is 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one is O=C1C(Cc2ccccc2)C(c2cccs2)=NN1c1ccccc1.
What is the InChIKey of 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one?
The InChIKey is BSULECWVFHLAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20-17(14-15-8-3-1-4-9-15)19(18-12-7-13-24-18)21-22(20)16-10-5-2-6-11-16/h1-13,17H,14H2.
What are the key properties of 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one?
4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one has a molecular weight of 332.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-5-thiophen-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 147144621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).