1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one

C27H30N4O4 — CID 158858743

IUPAC1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(O)c(-c2ccnn2C)c1.COc1ccc(CC(C)=O)cc1-c1ccnn1C
InChIInChI=1S/C14H16N2O2.C13H14N2O2/c1-10(17)8-11-4-5-14(18-3)12(9-11)13-6-7-15-16(13)2;1-9(16)7-10-3-4-13(17)11(8-10)12-5-6-14-15(12)2/h4-7,9H,8H2,1-3H3;3-6,8,17H,7H2,1-2H3
InChIKeyJAJUDAQMWVILPT-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.15
Rot. Bonds7

About 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one

1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one (PubChem CID 158858743) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
PubChem CID158858743
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(O)c(-c2ccnn2C)c1.COc1ccc(CC(C)=O)cc1-c1ccnn1C
InChIInChI=1S/C14H16N2O2.C13H14N2O2/c1-10(17)8-11-4-5-14(18-3)12(9-11)13-6-7-15-16(13)2;1-9(16)7-10-3-4-13(17)11(8-10)12-5-6-14-15(12)2/h4-7,9H,8H2,1-3H3;3-6,8,17H,7H2,1-2H3
InChIKeyJAJUDAQMWVILPT-UHFFFAOYSA-N
XLogP4.15
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 162223075
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone
CID 158147919
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
CID 143181839
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
1-[3-hydroxy-4-(methoxymethoxy)phenyl]propan-2-one
CID 154190128

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one (CID 158858743) is 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(O)c(-c2ccnn2C)c1.COc1ccc(CC(C)=O)cc1-c1ccnn1C.
What is the InChIKey of 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one?
The InChIKey is JAJUDAQMWVILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C13H14N2O2/c1-10(17)8-11-4-5-14(18-3)12(9-11)13-6-7-15-16(13)2;1-9(16)7-10-3-4-13(17)11(8-10)12-5-6-14-15(12)2/h4-7,9H,8H2,1-3H3;3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one?
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one has a molecular weight of 474.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one is sourced from PubChem (CID 158858743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).