[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C14H20N2O — CID 852732

IUPAC[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCC1=C(C)C[C@H](C(=O)n2nc(C)cc2C)CC1
InChIInChI=1S/C14H20N2O/c1-9-5-6-13(7-10(9)2)14(17)16-12(4)8-11(3)15-16/h8,13H,5-7H2,1-4H3/t13-/m1/s1
InChIKeyCJHRLDGJBZSEJU-CYBMUJFWSA-N
MW232.33 g/mol
LogP3.28
Rot. Bonds1

About [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 852732) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID852732
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCC1=C(C)C[C@H](C(=O)n2nc(C)cc2C)CC1
InChIInChI=1S/C14H20N2O/c1-9-5-6-13(7-10(9)2)14(17)16-12(4)8-11(3)15-16/h8,13H,5-7H2,1-4H3/t13-/m1/s1
InChIKeyCJHRLDGJBZSEJU-CYBMUJFWSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 852732) is [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone is CC1=C(C)C[C@H](C(=O)n2nc(C)cc2C)CC1.
What is the InChIKey of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is CJHRLDGJBZSEJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-5-6-13(7-10(9)2)14(17)16-12(4)8-11(3)15-16/h8,13H,5-7H2,1-4H3/t13-/m1/s1.
What are the key properties of [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,4-dimethylcyclohex-3-en-1-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).