5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one

C15H24N2O — CID 82870642

IUPAC5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2ccn(C)n2)C(=O)C1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(14(18)9-11)15(2,3)10-12-7-8-17(4)16-12/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyXXGHCDTZHUNYOI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds3

About 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one

5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one (PubChem CID 82870642) 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-3-yl)propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
PubChem CID82870642
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)Cc2ccn(C)n2)C(=O)C1
InChIInChI=1S/C15H24N2O/c1-11-5-6-13(14(18)9-11)15(2,3)10-12-7-8-17(4)16-12/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyXXGHCDTZHUNYOI-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one?
The IUPAC name of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one (CID 82870642) is 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one is CC1CCC(C(C)(C)Cc2ccn(C)n2)C(=O)C1.
What is the InChIKey of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one?
The InChIKey is XXGHCDTZHUNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-13(14(18)9-11)15(2,3)10-12-7-8-17(4)16-12/h7-8,11,13H,5-6,9-10H2,1-4H3.
What are the key properties of 5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one?
5-methyl-2-[2-methyl-1-(1-methylpyrazol-3-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-3-yl)propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 82870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).