2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol

C13H24N2O — CID 82871026

IUPAC2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccn(C)n1
InChIInChI=1S/C13H24N2O/c1-4-6-8-13(5-2,11-16)10-12-7-9-15(3)14-12/h7,9,16H,4-6,8,10-11H2,1-3H3
InChIKeyNJOLETBSFNYJTG-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.54
Rot. Bonds7

About 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol

2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol (PubChem CID 82871026) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
PubChem CID82871026
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccn(C)n1
InChIInChI=1S/C13H24N2O/c1-4-6-8-13(5-2,11-16)10-12-7-9-15(3)14-12/h7,9,16H,4-6,8,10-11H2,1-3H3
InChIKeyNJOLETBSFNYJTG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol (CID 82871026) is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol is CCCCC(CC)(CO)Cc1ccn(C)n1.
What is the InChIKey of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol?
The InChIKey is NJOLETBSFNYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-8-13(5-2,11-16)10-12-7-9-15(3)14-12/h7,9,16H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol?
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol is sourced from PubChem (CID 82871026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).