1-(4-methoxypyrazol-1-yl)hexan-2-ol

C10H18N2O2 — CID 166450682

IUPAC1-(4-methoxypyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1cc(OC)cn1
InChIInChI=1S/C10H18N2O2/c1-3-4-5-9(13)7-12-8-10(14-2)6-11-12/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyFXOZQZYLBTYIBW-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.44
Rot. Bonds6

About 1-(4-methoxypyrazol-1-yl)hexan-2-ol

1-(4-methoxypyrazol-1-yl)hexan-2-ol (PubChem CID 166450682) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-methoxypyrazol-1-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(4-methoxypyrazol-1-yl)hexan-2-ol
PubChem CID166450682
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(4-methoxypyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1cc(OC)cn1
InChIInChI=1S/C10H18N2O2/c1-3-4-5-9(13)7-12-8-10(14-2)6-11-12/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyFXOZQZYLBTYIBW-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol
CID 166450684
methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate
CID 165489990
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-butoxy-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 107264004
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-ethyl-4-hexoxypyrazole
CID 116804751
1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
CID 19362455
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
CID 163467197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrazol-1-yl)hexan-2-ol?
The IUPAC name of 1-(4-methoxypyrazol-1-yl)hexan-2-ol (CID 166450682) is 1-(4-methoxypyrazol-1-yl)hexan-2-ol.
What is the SMILES notation for 1-(4-methoxypyrazol-1-yl)hexan-2-ol?
The canonical SMILES for 1-(4-methoxypyrazol-1-yl)hexan-2-ol is CCCCC(O)Cn1cc(OC)cn1.
What is the InChIKey of 1-(4-methoxypyrazol-1-yl)hexan-2-ol?
The InChIKey is FXOZQZYLBTYIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-5-9(13)7-12-8-10(14-2)6-11-12/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-methoxypyrazol-1-yl)hexan-2-ol?
1-(4-methoxypyrazol-1-yl)hexan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrazol-1-yl)hexan-2-ol is sourced from PubChem (CID 166450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).