3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one

C21H12N2O2S — CID 3269585

IUPAC3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3cccs3)c(-c3ccccc3)c21
InChIInChI=1S/C21H12N2O2S/c24-20-15-10-5-4-9-14(15)18-17(20)19(13-7-2-1-3-8-13)23(22-18)21(25)16-11-6-12-26-16/h1-12H
InChIKeyYHRLUUVWMIZRKK-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.51
Rot. Bonds2

About 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one

3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one (PubChem CID 3269585) has the molecular formula C21H12N2O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one.

Molecular Properties

Compound Name3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one
PubChem CID3269585
Molecular FormulaC21H12N2O2S
Molecular Weight356.41 g/mol
Exact Mass356.06
IUPAC Name3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3cccs3)c(-c3ccccc3)c21
InChIInChI=1S/C21H12N2O2S/c24-20-15-10-5-4-9-14(15)18-17(20)19(13-7-2-1-3-8-13)23(22-18)21(25)16-11-6-12-26-16/h1-12H
InChIKeyYHRLUUVWMIZRKK-UHFFFAOYSA-N
XLogP4.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one?
The IUPAC name of 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one (CID 3269585) is 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one.
What is the SMILES notation for 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one?
The canonical SMILES for 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one is O=C1c2ccccc2-c2nn(C(=O)c3cccs3)c(-c3ccccc3)c21.
What is the InChIKey of 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one?
The InChIKey is YHRLUUVWMIZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2S/c24-20-15-10-5-4-9-14(15)18-17(20)19(13-7-2-1-3-8-13)23(22-18)21(25)16-11-6-12-26-16/h1-12H.
What are the key properties of 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one?
3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one has a molecular weight of 356.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one is sourced from PubChem (CID 3269585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).