5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H28N4 — CID 66027336

IUPAC5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC2CCCCCCC2)c1N
InChIInChI=1S/C15H28N4/c1-11(2)19-15(14(16)12(3)18-19)17-13-9-7-5-4-6-8-10-13/h11,13,17H,4-10,16H2,1-3H3
InChIKeyHJCQYERQGWGKTF-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.88
Rot. Bonds3

About 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027336) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027336
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NC2CCCCCCC2)c1N
InChIInChI=1S/C15H28N4/c1-11(2)19-15(14(16)12(3)18-19)17-13-9-7-5-4-6-8-10-13/h11,13,17H,4-10,16H2,1-3H3
InChIKeyHJCQYERQGWGKTF-UHFFFAOYSA-N
XLogP3.88
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027336) is 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NC2CCCCCCC2)c1N.
What is the InChIKey of 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is HJCQYERQGWGKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11(2)19-15(14(16)12(3)18-19)17-13-9-7-5-4-6-8-10-13/h11,13,17H,4-10,16H2,1-3H3.
What are the key properties of 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).