3-pyrazol-1-ylcyclopentan-1-one

C8H10N2O — CID 59486117

IUPAC3-pyrazol-1-ylcyclopentan-1-one
SMILESO=C1CCC(n2cccn2)C1
InChIInChI=1S/C8H10N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7H,2-3,6H2
InChIKeyFPBNCNKYQFPLRA-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.18
Rot. Bonds1

About 3-pyrazol-1-ylcyclopentan-1-one

3-pyrazol-1-ylcyclopentan-1-one (PubChem CID 59486117) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-pyrazol-1-ylcyclopentan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-ylcyclopentan-1-one
PubChem CID59486117
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-pyrazol-1-ylcyclopentan-1-one
SMILESO=C1CCC(n2cccn2)C1
InChIInChI=1S/C8H10N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7H,2-3,6H2
InChIKeyFPBNCNKYQFPLRA-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-1H-pyrazole
CID 10844435
4-(1H-pyrazol-1-yl)butan-2-one
CID 914789
3-(4-iodo-1H-pyrazol-1-yl)cyclopentan-1-one
CID 79642612
2-(1H-pyrazol-1-yl)cyclopentan-1-one
CID 165767142
2-(1H-pyrazol-1-yl)cyclohexan-1-one
CID 15889069
3-(1H-pyrazol-1-yl)cyclobutan-1-one
CID 121552278
1-(3-Fluorocyclopentyl)-1h-pyrazole
CID 84731309
1-Pentanoyl-1h-pyrazole
CID 5147633
3-(1H-Pyrazol-1-yl)cyclohexan-1-one
CID 79617988
beta-(Pyrazol-1-yl)ethyl ketone
CID 129783088
2,5-Di-(1 h-pyrazol-1-yl)cyclopentanone
CID 129873575
3-[4-(Trifluoromethyl)pyrazol-1-yl]cyclopentan-1-one
CID 79642611

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylcyclopentan-1-one?
The IUPAC name of 3-pyrazol-1-ylcyclopentan-1-one (CID 59486117) is 3-pyrazol-1-ylcyclopentan-1-one.
What is the SMILES notation for 3-pyrazol-1-ylcyclopentan-1-one?
The canonical SMILES for 3-pyrazol-1-ylcyclopentan-1-one is O=C1CCC(n2cccn2)C1.
What is the InChIKey of 3-pyrazol-1-ylcyclopentan-1-one?
The InChIKey is FPBNCNKYQFPLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-3-2-7(6-8)10-5-1-4-9-10/h1,4-5,7H,2-3,6H2.
What are the key properties of 3-pyrazol-1-ylcyclopentan-1-one?
3-pyrazol-1-ylcyclopentan-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylcyclopentan-1-one is sourced from PubChem (CID 59486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).