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

C16H22N2O2 — CID 166450684

IUPAC1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1cc(OCc2ccccc2)cn1
InChIInChI=1S/C16H22N2O2/c1-2-3-9-15(19)11-18-12-16(10-17-18)20-13-14-7-5-4-6-8-14/h4-8,10,12,15,19H,2-3,9,11,13H2,1H3
InChIKeyIVDQYDOTDVXFPB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.01
Rot. Bonds8

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

1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol (PubChem CID 166450684) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol
PubChem CID166450684
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol
SMILESCCCCC(O)Cn1cc(OCc2ccccc2)cn1
InChIInChI=1S/C16H22N2O2/c1-2-3-9-15(19)11-18-12-16(10-17-18)20-13-14-7-5-4-6-8-14/h4-8,10,12,15,19H,2-3,9,11,13H2,1H3
InChIKeyIVDQYDOTDVXFPB-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypyrazol-1-yl)hexan-2-ol
CID 166450682
1-methyl-4-phenylmethoxypyrazole
CID 84661432
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
CID 10982342
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
phenoxymethylbenzene;tetradecane
CID 175006528
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol?
The IUPAC name of 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol (CID 166450684) is 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol.
What is the SMILES notation for 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol?
The canonical SMILES for 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol is CCCCC(O)Cn1cc(OCc2ccccc2)cn1.
What is the InChIKey of 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol?
The InChIKey is IVDQYDOTDVXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-9-15(19)11-18-12-16(10-17-18)20-13-14-7-5-4-6-8-14/h4-8,10,12,15,19H,2-3,9,11,13H2,1H3.
What are the key properties of 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol?
1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxypyrazol-1-yl)hexan-2-ol is sourced from PubChem (CID 166450684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).