5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one

C15H24N2O — CID 64764987

IUPAC5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2cnn(C)c2)C(=O)C1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(14(18)7-11)15(2,3)8-12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3
InChIKeyYFVMFZACEIWUFG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds3

About 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one

5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one (PubChem CID 64764987) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
PubChem CID64764987
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2cnn(C)c2)C(=O)C1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(14(18)7-11)15(2,3)8-12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3
InChIKeyYFVMFZACEIWUFG-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
CID 82870642
N-ethyl-5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-amine
CID 64767394
5-methyl-2-(2,4,6-trimethylheptan-2-yl)cyclohexan-1-one
CID 114201371
2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
CID 64765340
2-(aminomethyl)-2-cyclopropyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 106489762
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
3,3-dimethyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 81004127
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
1-(cyclopropylamino)-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038933
3-tert-butyl-7-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64881681
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one?
The IUPAC name of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one (CID 64764987) is 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one is CC1CCC(C(C)(C)Cc2cnn(C)c2)C(=O)C1.
What is the InChIKey of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one?
The InChIKey is YFVMFZACEIWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-13(14(18)7-11)15(2,3)8-12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one?
5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one has a molecular weight of 248.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methyl-1-(1-methylpyrazol-4-yl)propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 64764987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).