1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol

C16H30N2O — CID 105084923

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(CC)nn1C
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)15-13-14(5-2)17-18(15)3/h13,16,19H,4-12H2,1-3H3
InChIKeyJCCAQBDRDRZVFZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.16
Rot. Bonds10

About 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol

1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol (PubChem CID 105084923) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
PubChem CID105084923
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(CC)nn1C
InChIInChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)15-13-14(5-2)17-18(15)3/h13,16,19H,4-12H2,1-3H3
InChIKeyJCCAQBDRDRZVFZ-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.16
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-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
1-(3-ethyl-1-methylpyrazol-5-yl)octan-1-one
CID 105086496
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131290
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
CID 105123108
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol (CID 105084923) is 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol is CCCCCCCCCC(O)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol?
The InChIKey is JCCAQBDRDRZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-6-7-8-9-10-11-12-16(19)15-13-14(5-2)17-18(15)3/h13,16,19H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol?
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol is sourced from PubChem (CID 105084923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).