1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol

C13H22N2O — CID 107012235

IUPAC1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C13H22N2O/c1-4-5-6-7-8-9-13(16)12-10-14-15(3)11(12)2/h4,10,13,16H,1,5-9H2,2-3H3
InChIKeyDREPMGWIHNEOEH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.90
Rot. Bonds7

About 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol

1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol (PubChem CID 107012235) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
PubChem CID107012235
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C13H22N2O/c1-4-5-6-7-8-9-13(16)12-10-14-15(3)11(12)2/h4,10,13,16H,1,5-9H2,2-3H3
InChIKeyDREPMGWIHNEOEH-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol
CID 107008588
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
1-(1,5-dimethylpyrazol-4-yl)pent-4-en-1-amine
CID 105153472
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
1-(3-methylimidazol-4-yl)oct-7-en-1-ol
CID 107008689
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
4-(1-hydroxydec-9-enyl)-5-methyl-2-propan-2-ylphenol
CID 90849754

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol (CID 107012235) is 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol?
The InChIKey is DREPMGWIHNEOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-6-7-8-9-13(16)12-10-14-15(3)11(12)2/h4,10,13,16H,1,5-9H2,2-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol?
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol is sourced from PubChem (CID 107012235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).