3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one

C9H10N2O — CID 65174447

IUPAC3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one
SMILESCn1cc(C2=CC(=O)CC2)cn1
InChIInChI=1S/C9H10N2O/c1-11-6-8(5-10-11)7-2-3-9(12)4-7/h4-6H,2-3H2,1H3
InChIKeyLDDAHXOUNDKRSN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.17
Rot. Bonds1

About 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one

3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one (PubChem CID 65174447) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one
PubChem CID65174447
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one
SMILESCn1cc(C2=CC(=O)CC2)cn1
InChIInChI=1S/C9H10N2O/c1-11-6-8(5-10-11)7-2-3-9(12)4-7/h4-6H,2-3H2,1H3
InChIKeyLDDAHXOUNDKRSN-UHFFFAOYSA-N
XLogP1.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one (CID 65174447) is 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one is Cn1cc(C2=CC(=O)CC2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one?
The InChIKey is LDDAHXOUNDKRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-6-8(5-10-11)7-2-3-9(12)4-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one?
3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 65174447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).