1-(1-cyclohexylpyrazol-3-yl)butan-2-one

C13H20N2O — CID 64784110

IUPAC1-(1-cyclohexylpyrazol-3-yl)butan-2-one
SMILESCCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O/c1-2-13(16)10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyDBQWYPNPQDZLRX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds4

About 1-(1-cyclohexylpyrazol-3-yl)butan-2-one

1-(1-cyclohexylpyrazol-3-yl)butan-2-one (PubChem CID 64784110) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)butan-2-one
PubChem CID64784110
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)butan-2-one
SMILESCCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O/c1-2-13(16)10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3
InChIKeyDBQWYPNPQDZLRX-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)butan-2-one (CID 64784110) is 1-(1-cyclohexylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)butan-2-one is CCC(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The InChIKey is DBQWYPNPQDZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-13(16)10-11-8-9-15(14-11)12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)butan-2-one?
1-(1-cyclohexylpyrazol-3-yl)butan-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 64784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).