3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

C13H24N2O — CID 107894694

IUPAC3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCCCC(C)C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N2O/c1-6-7-9(2)13(16)8-12-10(3)14-15(5)11(12)4/h9,13,16H,6-8H2,1-5H3
InChIKeyVDZNFMXZSCGOOC-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.38
Rot. Bonds5

About 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (PubChem CID 107894694) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
PubChem CID107894694
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCCCC(C)C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N2O/c1-6-7-9(2)13(16)8-12-10(3)14-15(5)11(12)4/h9,13,16H,6-8H2,1-5H3
InChIKeyVDZNFMXZSCGOOC-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111508005
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-one
CID 105091343
2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1-thiol
CID 83930049
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105120573
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (CID 107894694) is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.
What is the SMILES notation for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The canonical SMILES for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is CCCC(C)C(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The InChIKey is VDZNFMXZSCGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-7-9(2)13(16)8-12-10(3)14-15(5)11(12)4/h9,13,16H,6-8H2,1-5H3.
What are the key properties of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol has a molecular weight of 224.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is sourced from PubChem (CID 107894694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).