[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

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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).