1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone

C11H16N2O — CID 62727814

IUPAC1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(CC2CCCC2)c1
InChIInChI=1S/C11H16N2O/c1-9(14)11-6-12-13(8-11)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyBKWJJZIIQBNLBH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone

1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone (PubChem CID 62727814) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
PubChem CID62727814
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(CC2CCCC2)c1
InChIInChI=1S/C11H16N2O/c1-9(14)11-6-12-13(8-11)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyBKWJJZIIQBNLBH-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]ethanone
CID 79623164
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-(cyclobutylmethyl)pyrazole-4-carbothioamide
CID 130573523
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982
2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637762
N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 170994996

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone (CID 62727814) is 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone is CC(=O)c1cnn(CC2CCCC2)c1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone?
The InChIKey is BKWJJZIIQBNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(14)11-6-12-13(8-11)7-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone?
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 62727814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).