6-(2-methylpyrazol-3-yl)hexane-1,4-diol

C10H18N2O2 — CID 106677975

IUPAC6-(2-methylpyrazol-3-yl)hexane-1,4-diol
SMILESCn1nccc1CCC(O)CCCO
InChIInChI=1S/C10H18N2O2/c1-12-9(6-7-11-12)4-5-10(14)3-2-8-13/h6-7,10,13-14H,2-5,8H2,1H3
InChIKeyYOAOCQOWHJWXIT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.49
Rot. Bonds6

About 6-(2-methylpyrazol-3-yl)hexane-1,4-diol

6-(2-methylpyrazol-3-yl)hexane-1,4-diol (PubChem CID 106677975) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)hexane-1,4-diol.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)hexane-1,4-diol
PubChem CID106677975
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-(2-methylpyrazol-3-yl)hexane-1,4-diol
SMILESCn1nccc1CCC(O)CCCO
InChIInChI=1S/C10H18N2O2/c1-12-9(6-7-11-12)4-5-10(14)3-2-8-13/h6-7,10,13-14H,2-5,8H2,1H3
InChIKeyYOAOCQOWHJWXIT-UHFFFAOYSA-N
XLogP0.49
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
8-(2-methylpyrazol-3-yl)octan-4-ol
CID 103016003
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)hexane-1,4-diol?
The IUPAC name of 6-(2-methylpyrazol-3-yl)hexane-1,4-diol (CID 106677975) is 6-(2-methylpyrazol-3-yl)hexane-1,4-diol.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)hexane-1,4-diol?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)hexane-1,4-diol is Cn1nccc1CCC(O)CCCO.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)hexane-1,4-diol?
The InChIKey is YOAOCQOWHJWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12-9(6-7-11-12)4-5-10(14)3-2-8-13/h6-7,10,13-14H,2-5,8H2,1H3.
What are the key properties of 6-(2-methylpyrazol-3-yl)hexane-1,4-diol?
6-(2-methylpyrazol-3-yl)hexane-1,4-diol has a molecular weight of 198.27 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)hexane-1,4-diol is sourced from PubChem (CID 106677975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).