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

C12H22N2O — CID 103013811

IUPAC2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCn1nccc1CCCC(O)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)7-5-6-10-8-9-13-14(10)4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyRZTRDQCHMZIWIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.15
Rot. Bonds4

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

2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol (PubChem CID 103013811) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
PubChem CID103013811
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
SMILESCn1nccc1CCCC(O)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-12(2,3)11(15)7-5-6-10-8-9-13-14(10)4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyRZTRDQCHMZIWIW-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103004349
5-(5-bromo-6,6-dimethylheptyl)-1-methylpyrazole
CID 103016073
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
8-(2-methylpyrazol-3-yl)octan-4-ol
CID 103016003
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol?
The IUPAC name of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol (CID 103013811) is 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol is Cn1nccc1CCCC(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol?
The InChIKey is RZTRDQCHMZIWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)11(15)7-5-6-10-8-9-13-14(10)4/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol?
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol has a molecular weight of 210.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol is sourced from PubChem (CID 103013811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).