7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C22H18N2O3 — CID 135882602

IUPAC7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCc1c(O)c(-c2ccn(-c3ccccc3)n2)cc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C22H18N2O3/c1-13-20(25)18(19-10-11-24(23-19)14-6-3-2-4-7-14)12-17-15-8-5-9-16(15)22(26)27-21(13)17/h2-4,6-7,10-12,25H,5,8-9H2,1H3
InChIKeyJGZBFCMGTLZLKT-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.15
Rot. Bonds2

About 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 135882602) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID135882602
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCc1c(O)c(-c2ccn(-c3ccccc3)n2)cc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C22H18N2O3/c1-13-20(25)18(19-10-11-24(23-19)14-6-3-2-4-7-14)12-17-15-8-5-9-16(15)22(26)27-21(13)17/h2-4,6-7,10-12,25H,5,8-9H2,1H3
InChIKeyJGZBFCMGTLZLKT-UHFFFAOYSA-N
XLogP4.15
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 135882602) is 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is Cc1c(O)c(-c2ccn(-c3ccccc3)n2)cc2c3c(c(=O)oc12)CCC3.
What is the InChIKey of 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is JGZBFCMGTLZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-13-20(25)18(19-10-11-24(23-19)14-6-3-2-4-7-14)12-17-15-8-5-9-16(15)22(26)27-21(13)17/h2-4,6-7,10-12,25H,5,8-9H2,1H3.
What are the key properties of 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 358.40 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-8-(1-phenylpyrazol-3-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 135882602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).