6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one

C17H28N2O — CID 64777572

IUPAC6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H28N2O/c1-17(2,3)16(20)11-7-8-14-12-13-19(18-14)15-9-5-4-6-10-15/h12-13,15H,4-11H2,1-3H3
InChIKeySDUWENAGKBJPGI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.33
Rot. Bonds5

About 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one

6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one (PubChem CID 64777572) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
PubChem CID64777572
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H28N2O/c1-17(2,3)16(20)11-7-8-14-12-13-19(18-14)15-9-5-4-6-10-15/h12-13,15H,4-11H2,1-3H3
InChIKeySDUWENAGKBJPGI-UHFFFAOYSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
CID 64777764
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
CID 79052000
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one?
The IUPAC name of 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one (CID 64777572) is 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one.
What is the SMILES notation for 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one?
The canonical SMILES for 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one is CC(C)(C)C(=O)CCCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one?
The InChIKey is SDUWENAGKBJPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)16(20)11-7-8-14-12-13-19(18-14)15-9-5-4-6-10-15/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one?
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one has a molecular weight of 276.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one is sourced from PubChem (CID 64777572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).