1-(2-methylpyrazol-3-yl)hexane-3,4-diol

C10H18N2O2 — CID 103454643

IUPAC1-(2-methylpyrazol-3-yl)hexane-3,4-diol
SMILESCCC(O)C(O)CCc1ccnn1C
InChIInChI=1S/C10H18N2O2/c1-3-9(13)10(14)5-4-8-6-7-11-12(8)2/h6-7,9-10,13-14H,3-5H2,1-2H3
InChIKeyVAZUGKAZEGMTOP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.48
Rot. Bonds5

About 1-(2-methylpyrazol-3-yl)hexane-3,4-diol

1-(2-methylpyrazol-3-yl)hexane-3,4-diol (PubChem CID 103454643) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)hexane-3,4-diol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)hexane-3,4-diol
PubChem CID103454643
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-methylpyrazol-3-yl)hexane-3,4-diol
SMILESCCC(O)C(O)CCc1ccnn1C
InChIInChI=1S/C10H18N2O2/c1-3-9(13)10(14)5-4-8-6-7-11-12(8)2/h6-7,9-10,13-14H,3-5H2,1-2H3
InChIKeyVAZUGKAZEGMTOP-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
4-(aminomethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 107443168
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)hexane-3,4-diol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)hexane-3,4-diol (CID 103454643) is 1-(2-methylpyrazol-3-yl)hexane-3,4-diol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)hexane-3,4-diol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)hexane-3,4-diol is CCC(O)C(O)CCc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)hexane-3,4-diol?
The InChIKey is VAZUGKAZEGMTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-9(13)10(14)5-4-8-6-7-11-12(8)2/h6-7,9-10,13-14H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)hexane-3,4-diol?
1-(2-methylpyrazol-3-yl)hexane-3,4-diol has a molecular weight of 198.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)hexane-3,4-diol is sourced from PubChem (CID 103454643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).