[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol

C18H22N2O — CID 106651340

IUPAC[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESOC(/C1=C/CCCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-11-5-2-1-3-6-12-15)16-13-19-20-17(16)14-9-7-4-8-10-14/h4,7-11,13,18,21H,1-3,5-6,12H2,(H,19,20)/b15-11+
InChIKeyAYHAKGAFCPARJR-RVDMUPIBSA-N
MW282.39 g/mol
LogP4.39
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol

[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol (PubChem CID 106651340) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
PubChem CID106651340
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESOC(/C1=C/CCCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-11-5-2-1-3-6-12-15)16-13-19-20-17(16)14-9-7-4-8-10-14/h4,7-11,13,18,21H,1-3,5-6,12H2,(H,19,20)/b15-11+
InChIKeyAYHAKGAFCPARJR-RVDMUPIBSA-N
XLogP4.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651341
cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 106651327
cyclohexen-1-yl(1H-pyrazol-5-yl)methanol
CID 114988921
2,3-dihydroxy-3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 170824711
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol (CID 106651340) is [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol is OC(/C1=C/CCCCCC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol?
The InChIKey is AYHAKGAFCPARJR-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(15-11-5-2-1-3-6-12-15)16-13-19-20-17(16)14-9-7-4-8-10-14/h4,7-11,13,18,21H,1-3,5-6,12H2,(H,19,20)/b15-11+.
What are the key properties of [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol?
[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol has a molecular weight of 282.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 106651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).