1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol

C17H24N2O2 — CID 103465724

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCC(C)n1ccc(CC(O)(COC)c2ccccc2)n1
InChIInChI=1S/C17H24N2O2/c1-4-14(2)19-11-10-16(18-19)12-17(20,13-21-3)15-8-6-5-7-9-15/h5-11,14,20H,4,12-13H2,1-3H3
InChIKeyALIUBDFFIHAORM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol

1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465724) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465724
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCC(C)n1ccc(CC(O)(COC)c2ccccc2)n1
InChIInChI=1S/C17H24N2O2/c1-4-14(2)19-11-10-16(18-19)12-17(20,13-21-3)15-8-6-5-7-9-15/h5-11,14,20H,4,12-13H2,1-3H3
InChIKeyALIUBDFFIHAORM-UHFFFAOYSA-N
XLogP2.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155540342
(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053364
(1-Methyl-3-phenyl-1H-pyrazol-4-YL)methanol
CID 40427074
[1-[(1,3-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 53193347
(3R,4S)-3-(dimethylamino)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpiperidin-4-ol
CID 71687064
1-[(1,3-Dimethylpyrazol-4-yl)methyl]-4-phenyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601718
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
8-[(1-Ethenyl-3-methylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673727
3-(3-Fluorophenyl)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 16673792
4-(2-Fluorophenyl)-1-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]piperidin-4-ol
CID 16674062

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol (CID 103465724) is 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol is CCC(C)n1ccc(CC(O)(COC)c2ccccc2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is ALIUBDFFIHAORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14(2)19-11-10-16(18-19)12-17(20,13-21-3)15-8-6-5-7-9-15/h5-11,14,20H,4,12-13H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol?
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).