5-cyclooctyl-2,4-dimethylpyrazol-3-amine

C13H23N3 — CID 65018283

IUPAC5-cyclooctyl-2,4-dimethylpyrazol-3-amine
SMILESCc1c(C2CCCCCCC2)nn(C)c1N
InChIInChI=1S/C13H23N3/c1-10-12(15-16(2)13(10)14)11-8-6-4-3-5-7-9-11/h11H,3-9,14H2,1-2H3
InChIKeyJMYLKPZTKPRQER-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.14
Rot. Bonds1

About 5-cyclooctyl-2,4-dimethylpyrazol-3-amine

5-cyclooctyl-2,4-dimethylpyrazol-3-amine (PubChem CID 65018283) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-cyclooctyl-2,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclooctyl-2,4-dimethylpyrazol-3-amine
PubChem CID65018283
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-cyclooctyl-2,4-dimethylpyrazol-3-amine
SMILESCc1c(C2CCCCCCC2)nn(C)c1N
InChIInChI=1S/C13H23N3/c1-10-12(15-16(2)13(10)14)11-8-6-4-3-5-7-9-11/h11H,3-9,14H2,1-2H3
InChIKeyJMYLKPZTKPRQER-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-2,4-dimethylpyrazol-3-amine?
The IUPAC name of 5-cyclooctyl-2,4-dimethylpyrazol-3-amine (CID 65018283) is 5-cyclooctyl-2,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-cyclooctyl-2,4-dimethylpyrazol-3-amine?
The canonical SMILES for 5-cyclooctyl-2,4-dimethylpyrazol-3-amine is Cc1c(C2CCCCCCC2)nn(C)c1N.
What is the InChIKey of 5-cyclooctyl-2,4-dimethylpyrazol-3-amine?
The InChIKey is JMYLKPZTKPRQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-12(15-16(2)13(10)14)11-8-6-4-3-5-7-9-11/h11H,3-9,14H2,1-2H3.
What are the key properties of 5-cyclooctyl-2,4-dimethylpyrazol-3-amine?
5-cyclooctyl-2,4-dimethylpyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-2,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 65018283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).