[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol

C16H26N2O — CID 106657733

IUPAC[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)/C2=C/CCCCCC2)n(CC)n1
InChIInChI=1S/C16H26N2O/c1-3-14-12-15(18(4-2)17-14)16(19)13-10-8-6-5-7-9-11-13/h10,12,16,19H,3-9,11H2,1-2H3/b13-10+
InChIKeyZRBCWCBETNDICX-JLHYYAGUSA-N
MW262.40 g/mol
LogP3.78
Rot. Bonds4

About [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol

[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol (PubChem CID 106657733) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
PubChem CID106657733
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)/C2=C/CCCCCC2)n(CC)n1
InChIInChI=1S/C16H26N2O/c1-3-14-12-15(18(4-2)17-14)16(19)13-10-8-6-5-7-9-11-13/h10,12,16,19H,3-9,11H2,1-2H3/b13-10+
InChIKeyZRBCWCBETNDICX-JLHYYAGUSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.78
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

N-[cyclohepten-1-yl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 106657100
cyclohepten-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106657140
[(1E)-cycloocten-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 106656773
N-[cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106657172
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105132344
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol (CID 106657733) is [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol is CCc1cc(C(O)/C2=C/CCCCCC2)n(CC)n1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol?
The InChIKey is ZRBCWCBETNDICX-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-12-15(18(4-2)17-14)16(19)13-10-8-6-5-7-9-11-13/h10,12,16,19H,3-9,11H2,1-2H3/b13-10+.
What are the key properties of [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol?
[(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol has a molecular weight of 262.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(1,3-diethylpyrazol-5-yl)methanol is sourced from PubChem (CID 106657733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).