1-(1-ethylpyrazol-4-yl)dodecan-1-ol

C17H32N2O — CID 115778864

IUPAC1-(1-ethylpyrazol-4-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cnn(CC)c1
InChIInChI=1S/C17H32N2O/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-14-18-19(4-2)15-16/h14-15,17,20H,3-13H2,1-2H3
InChIKeyJDYVLNNFIFVBDF-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.86
Rot. Bonds12

About 1-(1-ethylpyrazol-4-yl)dodecan-1-ol

1-(1-ethylpyrazol-4-yl)dodecan-1-ol (PubChem CID 115778864) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)dodecan-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)dodecan-1-ol
PubChem CID115778864
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(1-ethylpyrazol-4-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cnn(CC)c1
InChIInChI=1S/C17H32N2O/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-14-18-19(4-2)15-16/h14-15,17,20H,3-13H2,1-2H3
InChIKeyJDYVLNNFIFVBDF-UHFFFAOYSA-N
XLogP4.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrazol-4-yl)dodecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-pyrimidin-5-ylheptan-1-ol
CID 63901616
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)dodecan-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)dodecan-1-ol (CID 115778864) is 1-(1-ethylpyrazol-4-yl)dodecan-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)dodecan-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)dodecan-1-ol is CCCCCCCCCCCC(O)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)dodecan-1-ol?
The InChIKey is JDYVLNNFIFVBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-14-18-19(4-2)15-16/h14-15,17,20H,3-13H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)dodecan-1-ol?
1-(1-ethylpyrazol-4-yl)dodecan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)dodecan-1-ol is sourced from PubChem (CID 115778864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).