2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one

C10H14N2O — CID 82869773

IUPAC2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCn1ccc(CC2CCCC2=O)n1
InChIInChI=1S/C10H14N2O/c1-12-6-5-9(11-12)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3
InChIKeyRUFXPMUSVIQFBM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.33
Rot. Bonds2

About 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one

2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one (PubChem CID 82869773) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
PubChem CID82869773
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCn1ccc(CC2CCCC2=O)n1
InChIInChI=1S/C10H14N2O/c1-12-6-5-9(11-12)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3
InChIKeyRUFXPMUSVIQFBM-UHFFFAOYSA-N
XLogP1.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one (CID 82869773) is 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one is Cn1ccc(CC2CCCC2=O)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is RUFXPMUSVIQFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-6-5-9(11-12)7-8-3-2-4-10(8)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one?
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 82869773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).