1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one

C13H14N2O2 — CID 103458024

IUPAC1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
SMILESCn1cc(CC(=O)C(O)c2ccccc2)cn1
InChIInChI=1S/C13H14N2O2/c1-15-9-10(8-14-15)7-12(16)13(17)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7H2,1H3
InChIKeyGSBXUEYHRHJWHD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds4

About 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one

1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one (PubChem CID 103458024) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
PubChem CID103458024
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
SMILESCn1cc(CC(=O)C(O)c2ccccc2)cn1
InChIInChI=1S/C13H14N2O2/c1-15-9-10(8-14-15)7-12(16)13(17)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7H2,1H3
InChIKeyGSBXUEYHRHJWHD-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95344111

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one?
The IUPAC name of 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one (CID 103458024) is 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one?
The canonical SMILES for 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one is Cn1cc(CC(=O)C(O)c2ccccc2)cn1.
What is the InChIKey of 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one?
The InChIKey is GSBXUEYHRHJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-9-10(8-14-15)7-12(16)13(17)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7H2,1H3.
What are the key properties of 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one?
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one is sourced from PubChem (CID 103458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).