1-(3,4-dimethylcyclohexyl)-3-methylpyrazole

C12H20N2 — CID 64738875

IUPAC1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
SMILESCc1ccn(C2CCC(C)C(C)C2)n1
InChIInChI=1S/C12H20N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyPSCAYBMAORIYEJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.19
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole

1-(3,4-dimethylcyclohexyl)-3-methylpyrazole (PubChem CID 64738875) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
PubChem CID64738875
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
SMILESCc1ccn(C2CCC(C)C(C)C2)n1
InChIInChI=1S/C12H20N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyPSCAYBMAORIYEJ-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole (CID 64738875) is 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole is Cc1ccn(C2CCC(C)C(C)C2)n1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole?
The InChIKey is PSCAYBMAORIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13-14/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole?
1-(3,4-dimethylcyclohexyl)-3-methylpyrazole has a molecular weight of 192.31 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-methylpyrazole is sourced from PubChem (CID 64738875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).