cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol

C16H18N2O — CID 106651341

IUPACcyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESOC(C1=CCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H18N2O/c19-16(13-9-5-2-6-10-13)14-11-17-18-15(14)12-7-3-1-4-8-12/h1,3-4,7-9,11,16,19H,2,5-6,10H2,(H,17,18)
InChIKeyCLSAMSNIGRYBNW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.61
Rot. Bonds3

About cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol

cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol (PubChem CID 106651341) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
PubChem CID106651341
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namecyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESOC(C1=CCCCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H18N2O/c19-16(13-9-5-2-6-10-13)14-11-17-18-15(14)12-7-3-1-4-8-12/h1,3-4,7-9,11,16,19H,2,5-6,10H2,(H,17,18)
InChIKeyCLSAMSNIGRYBNW-UHFFFAOYSA-N
XLogP3.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.61
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

[(1E)-cycloocten-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanol
CID 106651340
cyclohexen-1-yl-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 106651327
cyclohexen-1-yl(1H-pyrazol-5-yl)methanol
CID 114988921
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclopenten-1-yl(phenyl)methanol
CID 62079270
1-(5-phenyl-1H-pyrazol-4-yl)butane-1,2,4-triol
CID 171873055
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanenitrile
CID 171901720
cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
CID 106651325
[(1E)-cycloocten-1-yl]-[2-(trifluoromethoxy)phenyl]methanol
CID 106651033

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol (CID 106651341) is cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol is OC(C1=CCCCC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol?
The InChIKey is CLSAMSNIGRYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(13-9-5-2-6-10-13)14-11-17-18-15(14)12-7-3-1-4-8-12/h1,3-4,7-9,11,16,19H,2,5-6,10H2,(H,17,18).
What are the key properties of cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol?
cyclohexen-1-yl-(5-phenyl-1H-pyrazol-4-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.61, 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-phenyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 106651341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).