1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone

C14H16N2O3 — CID 109411614

IUPAC1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC(O)Cn2cccn2)c1
InChIInChI=1S/C14H16N2O3/c1-11(17)12-4-2-5-14(8-12)19-10-13(18)9-16-7-3-6-15-16/h2-8,13,18H,9-10H2,1H3
InChIKeyGRNLYFUTYLSZNL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.53
Rot. Bonds6

About 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone

1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone (PubChem CID 109411614) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
PubChem CID109411614
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCC(O)Cn2cccn2)c1
InChIInChI=1S/C14H16N2O3/c1-11(17)12-4-2-5-14(8-12)19-10-13(18)9-16-7-3-6-15-16/h2-8,13,18H,9-10H2,1H3
InChIKeyGRNLYFUTYLSZNL-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2S)-3-(4-chloropyrazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 97327179
1-[4-[(2R)-2-hydroxy-3-pyrazol-1-ylpropoxy]-3-methoxyphenyl]ethanone
CID 7444923
(2S)-1-(3-nitrophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 97327143
1-[3-[(2S)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 31061773
1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 110877527
1-[3-[2-hydroxy-3-(4-propyl-1,4-diazepan-1-yl)propoxy]phenyl]ethanone
CID 111120281
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-[4-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
CID 55346104
1-[3-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propoxy]phenyl]ethanone
CID 55361764
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone (CID 109411614) is 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone is CC(=O)c1cccc(OCC(O)Cn2cccn2)c1.
What is the InChIKey of 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone?
The InChIKey is GRNLYFUTYLSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11(17)12-4-2-5-14(8-12)19-10-13(18)9-16-7-3-6-15-16/h2-8,13,18H,9-10H2,1H3.
What are the key properties of 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone?
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone has a molecular weight of 260.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone is sourced from PubChem (CID 109411614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).