cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol

C16H17FN2O — CID 106651327

IUPACcyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
SMILESOC(C1=CCCCC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h4,6-10,16,20H,1-3,5H2,(H,18,19)
InChIKeyQSMVMCWVJFNHMB-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.75
Rot. Bonds3

About cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol

cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol (PubChem CID 106651327) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
PubChem CID106651327
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Namecyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
SMILESOC(C1=CCCCC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h4,6-10,16,20H,1-3,5H2,(H,18,19)
InChIKeyQSMVMCWVJFNHMB-UHFFFAOYSA-N
XLogP3.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.75
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
[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651340
1-(cyclohexen-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 131894979
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-methyltriazol-4-yl)methanol
CID 114685209
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylthiophen-3-yl)methanol
CID 102829326
3-bromo-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propane-1,2-diol
CID 171861357
cyclohexen-1-yl(1H-pyrazol-5-yl)methanol
CID 114988921
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
CID 82773069
5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol (CID 106651327) is cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol is OC(C1=CCCCC1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is QSMVMCWVJFNHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h4,6-10,16,20H,1-3,5H2,(H,18,19).
What are the key properties of cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol?
cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 272.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 106651327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).