1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one

C11H16N2O — CID 65462054

IUPAC1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CC2CCC2)c1
InChIInChI=1S/C11H16N2O/c1-2-11(14)10-6-12-13(8-10)7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3
InChIKeyQKZDQEMKRTXVEG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one

1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one (PubChem CID 65462054) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
PubChem CID65462054
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1cnn(CC2CCC2)c1
InChIInChI=1S/C11H16N2O/c1-2-11(14)10-6-12-13(8-10)7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3
InChIKeyQKZDQEMKRTXVEG-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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CID 62727814
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
1-(cyclobutylmethyl)pyrazole-4-carbothioamide
CID 130573523
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]propan-1-one
CID 102900615
(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 170994996

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one (CID 65462054) is 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one is CCC(=O)c1cnn(CC2CCC2)c1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one?
The InChIKey is QKZDQEMKRTXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(14)10-6-12-13(8-10)7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one?
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 65462054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).