3,5-di(cyclohexen-1-yl)-1-methylpyrazole

C16H22N2 — CID 154154277

IUPAC3,5-di(cyclohexen-1-yl)-1-methylpyrazole
SMILESCn1nc(C2=CCCCC2)cc1C1=CCCCC1
InChIInChI=1S/C16H22N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeyTUKRZWSRSYTBFG-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.33
Rot. Bonds2

About 3,5-di(cyclohexen-1-yl)-1-methylpyrazole

3,5-di(cyclohexen-1-yl)-1-methylpyrazole (PubChem CID 154154277) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,5-di(cyclohexen-1-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3,5-di(cyclohexen-1-yl)-1-methylpyrazole
PubChem CID154154277
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,5-di(cyclohexen-1-yl)-1-methylpyrazole
SMILESCn1nc(C2=CCCCC2)cc1C1=CCCCC1
InChIInChI=1S/C16H22N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h8,10,12H,2-7,9,11H2,1H3
InChIKeyTUKRZWSRSYTBFG-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(cyclohexen-1-yl)-1-methylpyrazole?
The IUPAC name of 3,5-di(cyclohexen-1-yl)-1-methylpyrazole (CID 154154277) is 3,5-di(cyclohexen-1-yl)-1-methylpyrazole.
What is the SMILES notation for 3,5-di(cyclohexen-1-yl)-1-methylpyrazole?
The canonical SMILES for 3,5-di(cyclohexen-1-yl)-1-methylpyrazole is Cn1nc(C2=CCCCC2)cc1C1=CCCCC1.
What is the InChIKey of 3,5-di(cyclohexen-1-yl)-1-methylpyrazole?
The InChIKey is TUKRZWSRSYTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h8,10,12H,2-7,9,11H2,1H3.
What are the key properties of 3,5-di(cyclohexen-1-yl)-1-methylpyrazole?
3,5-di(cyclohexen-1-yl)-1-methylpyrazole has a molecular weight of 242.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(cyclohexen-1-yl)-1-methylpyrazole is sourced from PubChem (CID 154154277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).