1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol

C12H22N2O — CID 83157835

IUPAC1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
SMILESCc1nn(C)cc1C(O)CCCC(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-14(4)13-10(11)3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyPLFBLBXDJYPDKE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.59
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol

1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol (PubChem CID 83157835) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
PubChem CID83157835
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
SMILESCc1nn(C)cc1C(O)CCCC(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-14(4)13-10(11)3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyPLFBLBXDJYPDKE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol (CID 83157835) is 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol is Cc1nn(C)cc1C(O)CCCC(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol?
The InChIKey is PLFBLBXDJYPDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)6-5-7-12(15)11-8-14(4)13-10(11)3/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol?
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 83157835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).