cyclooctyl-(2-ethylpyrazol-3-yl)methanamine

C14H25N3 — CID 80604016

IUPACcyclooctyl-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)C1CCCCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-13(10-11-16-17)14(15)12-8-6-4-3-5-7-9-12/h10-12,14H,2-9,15H2,1H3
InChIKeyQRIGDLHQGQUGIO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds3

About cyclooctyl-(2-ethylpyrazol-3-yl)methanamine

cyclooctyl-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 80604016) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is cyclooctyl-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclooctyl-(2-ethylpyrazol-3-yl)methanamine
PubChem CID80604016
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Namecyclooctyl-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)C1CCCCCCC1
InChIInChI=1S/C14H25N3/c1-2-17-13(10-11-16-17)14(15)12-8-6-4-3-5-7-9-12/h10-12,14H,2-9,15H2,1H3
InChIKeyQRIGDLHQGQUGIO-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
(2,2-dimethylcyclopropyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107004449
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
[2-cyclohexylsulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105227851
[7-bicyclo[4.1.0]heptanyl-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307270
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
(2-ethylpyrazol-3-yl)-piperidin-3-ylmethanol
CID 80559133

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of cyclooctyl-(2-ethylpyrazol-3-yl)methanamine (CID 80604016) is cyclooctyl-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for cyclooctyl-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for cyclooctyl-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1C(N)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is QRIGDLHQGQUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-17-13(10-11-16-17)14(15)12-8-6-4-3-5-7-9-12/h10-12,14H,2-9,15H2,1H3.
What are the key properties of cyclooctyl-(2-ethylpyrazol-3-yl)methanamine?
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 80604016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).