[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine

C15H25N3 — CID 106656773

IUPAC[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(C)cc1C(N)/C1=C/CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-18-14(11-12(2)17-18)15(16)13-9-7-5-4-6-8-10-13/h9,11,15H,3-8,10,16H2,1-2H3/b13-9+
InChIKeySAAOCOMKHCPKEM-UKTHLTGXSA-N
MW247.39 g/mol
LogP3.49
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine

[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine (PubChem CID 106656773) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
PubChem CID106656773
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(C)cc1C(N)/C1=C/CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-18-14(11-12(2)17-18)15(16)13-9-7-5-4-6-8-10-13/h9,11,15H,3-8,10,16H2,1-2H3/b13-9+
InChIKeySAAOCOMKHCPKEM-UKTHLTGXSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106657140
cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
CID 106657216
[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
CID 106657733
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
[cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 106650657
(2-ethyl-5-methylpyrazol-3-yl)-(furan-2-yl)methanamine
CID 105146979
(2-ethyl-5-methylpyrazol-3-yl)-thiophen-2-ylmethanamine
CID 105100495
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine (CID 106656773) is [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine is CCn1nc(C)cc1C(N)/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
The InChIKey is SAAOCOMKHCPKEM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18-14(11-12(2)17-18)15(16)13-9-7-5-4-6-8-10-13/h9,11,15H,3-8,10,16H2,1-2H3/b13-9+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine?
[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine has a molecular weight of 247.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106656773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).