4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol

C12H22N2O — CID 103016020

IUPAC4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
SMILESCC(O)CC(C)(C)CCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-10(15)9-12(2,3)7-5-11-6-8-13-14(11)4/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyPUUHWGSJMYJGSK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.15
Rot. Bonds5

About 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol

4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol (PubChem CID 103016020) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
PubChem CID103016020
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
SMILESCC(O)CC(C)(C)CCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-10(15)9-12(2,3)7-5-11-6-8-13-14(11)4/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyPUUHWGSJMYJGSK-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol?
The IUPAC name of 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol (CID 103016020) is 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol.
What is the SMILES notation for 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol?
The canonical SMILES for 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol is CC(O)CC(C)(C)CCc1ccnn1C.
What is the InChIKey of 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol?
The InChIKey is PUUHWGSJMYJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(15)9-12(2,3)7-5-11-6-8-13-14(11)4/h6,8,10,15H,5,7,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol?
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol is sourced from PubChem (CID 103016020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).