[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol

C16H30N2O — CID 82697059

IUPAC[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
SMILESCCCCC(CC)Cn1nc(CC)c(CO)c1CC
InChIInChI=1S/C16H30N2O/c1-5-9-10-13(6-2)11-18-16(8-4)14(12-19)15(7-3)17-18/h13,19H,5-12H2,1-4H3
InChIKeyKXOYPOULBMRIKN-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.72
Rot. Bonds9

About [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol

[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol (PubChem CID 82697059) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
PubChem CID82697059
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
SMILESCCCCC(CC)Cn1nc(CC)c(CO)c1CC
InChIInChI=1S/C16H30N2O/c1-5-9-10-13(6-2)11-18-16(8-4)14(12-19)15(7-3)17-18/h13,19H,5-12H2,1-4H3
InChIKeyKXOYPOULBMRIKN-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol 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

N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
3-ethyl-6-(2-ethylhexyl)-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107816899
N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700478
[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 45282967
1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 55110774
4-(1-chloropropyl)-1-(2-ethylhexyl)-3,5-dimethylpyrazole
CID 55223281
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
[(2R)-2-ethylhexyl]-tris[(2S)-2-ethylhexyl]silane
CID 99771332
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164

Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol (CID 82697059) is [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol is CCCCC(CC)Cn1nc(CC)c(CO)c1CC.
What is the InChIKey of [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol?
The InChIKey is KXOYPOULBMRIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-9-10-13(6-2)11-18-16(8-4)14(12-19)15(7-3)17-18/h13,19H,5-12H2,1-4H3.
What are the key properties of [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol?
[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol has a molecular weight of 266.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 82697059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).