3-cyclooctyl-1-methylpyrazol-5-amine

C12H21N3 — CID 65018284

IUPAC3-cyclooctyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCCCCCC2)cc1N
InChIInChI=1S/C12H21N3/c1-15-12(13)9-11(14-15)10-7-5-3-2-4-6-8-10/h9-10H,2-8,13H2,1H3
InChIKeyDCCPAFJQXVGJAJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds1

About 3-cyclooctyl-1-methylpyrazol-5-amine

3-cyclooctyl-1-methylpyrazol-5-amine (PubChem CID 65018284) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclooctyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclooctyl-1-methylpyrazol-5-amine
PubChem CID65018284
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclooctyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCCCCCC2)cc1N
InChIInChI=1S/C12H21N3/c1-15-12(13)9-11(14-15)10-7-5-3-2-4-6-8-10/h9-10H,2-8,13H2,1H3
InChIKeyDCCPAFJQXVGJAJ-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclooctyl-1-methylpyrazol-5-amine (CID 65018284) is 3-cyclooctyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclooctyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclooctyl-1-methylpyrazol-5-amine is Cn1nc(C2CCCCCCC2)cc1N.
What is the InChIKey of 3-cyclooctyl-1-methylpyrazol-5-amine?
The InChIKey is DCCPAFJQXVGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-12(13)9-11(14-15)10-7-5-3-2-4-6-8-10/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-cyclooctyl-1-methylpyrazol-5-amine?
3-cyclooctyl-1-methylpyrazol-5-amine has a molecular weight of 207.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 65018284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).