5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine

C15H27N3 — CID 79406049

IUPAC5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
SMILESCCCc1c(C2CCCCCCC2)nn(C)c1N
InChIInChI=1S/C15H27N3/c1-3-9-13-14(17-18(2)15(13)16)12-10-7-5-4-6-8-11-12/h12H,3-11,16H2,1-2H3
InChIKeySUHHLJCAZMKKNO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds3

About 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine

5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine (PubChem CID 79406049) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine.

Molecular Properties

Compound Name5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
PubChem CID79406049
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine
SMILESCCCc1c(C2CCCCCCC2)nn(C)c1N
InChIInChI=1S/C15H27N3/c1-3-9-13-14(17-18(2)15(13)16)12-10-7-5-4-6-8-11-12/h12H,3-11,16H2,1-2H3
InChIKeySUHHLJCAZMKKNO-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine?
The IUPAC name of 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine (CID 79406049) is 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine.
What is the SMILES notation for 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine?
The canonical SMILES for 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine is CCCc1c(C2CCCCCCC2)nn(C)c1N.
What is the InChIKey of 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine?
The InChIKey is SUHHLJCAZMKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-9-13-14(17-18(2)15(13)16)12-10-7-5-4-6-8-11-12/h12H,3-11,16H2,1-2H3.
What are the key properties of 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine?
5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-2-methyl-4-propylpyrazol-3-amine is sourced from PubChem (CID 79406049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).