4-methyl-2-phenylcyclopenta[c]pyrazol-3-one

C13H10N2O — CID 69297197

IUPAC4-methyl-2-phenylcyclopenta[c]pyrazol-3-one
SMILESCC1=C2C(=O)N(c3ccccc3)N=C2C=C1
InChIInChI=1S/C13H10N2O/c1-9-7-8-11-12(9)13(16)15(14-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDRESTVJVILGVCV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.28
Rot. Bonds1

About 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one

4-methyl-2-phenylcyclopenta[c]pyrazol-3-one (PubChem CID 69297197) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-phenylcyclopenta[c]pyrazol-3-one
PubChem CID69297197
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-methyl-2-phenylcyclopenta[c]pyrazol-3-one
SMILESCC1=C2C(=O)N(c3ccccc3)N=C2C=C1
InChIInChI=1S/C13H10N2O/c1-9-7-8-11-12(9)13(16)15(14-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDRESTVJVILGVCV-UHFFFAOYSA-N
XLogP2.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one?
The IUPAC name of 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one (CID 69297197) is 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one?
The canonical SMILES for 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one is CC1=C2C(=O)N(c3ccccc3)N=C2C=C1.
What is the InChIKey of 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one?
The InChIKey is DRESTVJVILGVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-7-8-11-12(9)13(16)15(14-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one?
4-methyl-2-phenylcyclopenta[c]pyrazol-3-one has a molecular weight of 210.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylcyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 69297197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).