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

C10H14N2O — CID 114988921

IUPACcyclohexen-1-yl(1H-pyrazol-5-yl)methanol
SMILESOC(C1=CCCCC1)c1ccn[nH]1
InChIInChI=1S/C10H14N2O/c13-10(9-6-7-11-12-9)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2,(H,11,12)
InChIKeyGDMHEHNHXINUBX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.94
Rot. Bonds2

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

cyclohexen-1-yl(1H-pyrazol-5-yl)methanol (PubChem CID 114988921) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is cyclohexen-1-yl(1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(1H-pyrazol-5-yl)methanol
PubChem CID114988921
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Namecyclohexen-1-yl(1H-pyrazol-5-yl)methanol
SMILESOC(C1=CCCCC1)c1ccn[nH]1
InChIInChI=1S/C10H14N2O/c13-10(9-6-7-11-12-9)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2,(H,11,12)
InChIKeyGDMHEHNHXINUBX-UHFFFAOYSA-N
XLogP1.94
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.94
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-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
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CID 106651340
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
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cyclohepten-1-yl(thiophen-2-yl)methanol
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cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
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cyclohexen-1-yl(1,3-thiazol-5-yl)methanol
CID 106651555
(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
CID 114987801
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
[(1E)-cycloocten-1-yl]-[4-(2-methylpropyl)phenyl]methanol
CID 106651347

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1H-pyrazol-5-yl)methanol?
The IUPAC name of cyclohexen-1-yl(1H-pyrazol-5-yl)methanol (CID 114988921) is cyclohexen-1-yl(1H-pyrazol-5-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl(1H-pyrazol-5-yl)methanol?
The canonical SMILES for cyclohexen-1-yl(1H-pyrazol-5-yl)methanol is OC(C1=CCCCC1)c1ccn[nH]1.
What is the InChIKey of cyclohexen-1-yl(1H-pyrazol-5-yl)methanol?
The InChIKey is GDMHEHNHXINUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(9-6-7-11-12-9)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2,(H,11,12).
What are the key properties of cyclohexen-1-yl(1H-pyrazol-5-yl)methanol?
cyclohexen-1-yl(1H-pyrazol-5-yl)methanol has a molecular weight of 178.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 114988921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).