3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole

C16H28N2 — CID 175417400

IUPAC3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole
SMILESCC1(C2CCCCC2)C=C(C2CCCCC2)NN1
InChIInChI=1S/C16H28N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h12-14,17-18H,2-11H2,1H3
InChIKeyAIZOVBQNXFZDMG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.90
Rot. Bonds2

About 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole

3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole (PubChem CID 175417400) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole.

Molecular Properties

Compound Name3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole
PubChem CID175417400
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole
SMILESCC1(C2CCCCC2)C=C(C2CCCCC2)NN1
InChIInChI=1S/C16H28N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h12-14,17-18H,2-11H2,1H3
InChIKeyAIZOVBQNXFZDMG-UHFFFAOYSA-N
XLogP3.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole?
The IUPAC name of 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole (CID 175417400) is 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole.
What is the SMILES notation for 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole?
The canonical SMILES for 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole is CC1(C2CCCCC2)C=C(C2CCCCC2)NN1.
What is the InChIKey of 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole?
The InChIKey is AIZOVBQNXFZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h12-14,17-18H,2-11H2,1H3.
What are the key properties of 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole?
3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole has a molecular weight of 248.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclohexyl-3-methyl-1,2-dihydropyrazole is sourced from PubChem (CID 175417400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).