1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol

C13H24N2O — CID 105085263

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc(C)nn1CC
InChIInChI=1S/C13H24N2O/c1-4-6-7-8-9-13(16)12-10-11(3)14-15(12)5-2/h10,13,16H,4-9H2,1-3H3
InChIKeySOLDJOYVUFNZCQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol

1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol (PubChem CID 105085263) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
PubChem CID105085263
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
SMILESCCCCCCC(O)c1cc(C)nn1CC
InChIInChI=1S/C13H24N2O/c1-4-6-7-8-9-13(16)12-10-11(3)14-15(12)5-2/h10,13,16H,4-9H2,1-3H3
InChIKeySOLDJOYVUFNZCQ-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
2-(3,4-dichlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105087991
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
CID 105122915
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol (CID 105085263) is 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol is CCCCCCC(O)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol?
The InChIKey is SOLDJOYVUFNZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-7-8-9-13(16)12-10-11(3)14-15(12)5-2/h10,13,16H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol?
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol is sourced from PubChem (CID 105085263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).