1-(1-methylcyclohexyl)pyrazole

C10H16N2 — CID 24786542

IUPAC1-(1-methylcyclohexyl)pyrazole
SMILESCC1(n2cccn2)CCCCC1
InChIInChI=1S/C10H16N2/c1-10(6-3-2-4-7-10)12-9-5-8-11-12/h5,8-9H,2-4,6-7H2,1H3
InChIKeyKXKNPRITXIVCRP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.56
Rot. Bonds1

About 1-(1-methylcyclohexyl)pyrazole

1-(1-methylcyclohexyl)pyrazole (PubChem CID 24786542) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)pyrazole.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)pyrazole
PubChem CID24786542
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(1-methylcyclohexyl)pyrazole
SMILESCC1(n2cccn2)CCCCC1
InChIInChI=1S/C10H16N2/c1-10(6-3-2-4-7-10)12-9-5-8-11-12/h5,8-9H,2-4,6-7H2,1H3
InChIKeyKXKNPRITXIVCRP-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)pyrazole?
The IUPAC name of 1-(1-methylcyclohexyl)pyrazole (CID 24786542) is 1-(1-methylcyclohexyl)pyrazole.
What is the SMILES notation for 1-(1-methylcyclohexyl)pyrazole?
The canonical SMILES for 1-(1-methylcyclohexyl)pyrazole is CC1(n2cccn2)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)pyrazole?
The InChIKey is KXKNPRITXIVCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(6-3-2-4-7-10)12-9-5-8-11-12/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)pyrazole?
1-(1-methylcyclohexyl)pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)pyrazole is sourced from PubChem (CID 24786542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).