1-(1-cyclopentylpyrazol-4-yl)ethanone

C10H14N2O — CID 62727270

IUPAC1-(1-cyclopentylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H14N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyRCUISZZKUWQPJX-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.20
Rot. Bonds2

About 1-(1-cyclopentylpyrazol-4-yl)ethanone

1-(1-cyclopentylpyrazol-4-yl)ethanone (PubChem CID 62727270) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-4-yl)ethanone
PubChem CID62727270
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(1-cyclopentylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H14N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyRCUISZZKUWQPJX-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)ethanone (CID 62727270) is 1-(1-cyclopentylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-cyclopentylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C2CCCC2)c1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-4-yl)ethanone?
The InChIKey is RCUISZZKUWQPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-4-yl)ethanone?
1-(1-cyclopentylpyrazol-4-yl)ethanone has a molecular weight of 178.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-4-yl)ethanone is sourced from PubChem (CID 62727270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).