3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid

C16H20N2O4 — CID 117123755

IUPAC3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)c(C(C)C)nn1-c1ccccc1O
InChIInChI=1S/C16H20N2O4/c1-10(2)15-11(8-9-14(20)21)16(22-3)18(17-15)12-6-4-5-7-13(12)19/h4-7,10,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyZWKCGIKVCMKCTA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds6

About 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid

3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid (PubChem CID 117123755) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
PubChem CID117123755
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)c(C(C)C)nn1-c1ccccc1O
InChIInChI=1S/C16H20N2O4/c1-10(2)15-11(8-9-14(20)21)16(22-3)18(17-15)12-6-4-5-7-13(12)19/h4-7,10,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyZWKCGIKVCMKCTA-UHFFFAOYSA-N
XLogP2.73
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117124339
2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
CID 117123695
3-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117124649
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
3-[1-(2-ethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093393
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid (CID 117123755) is 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid is COc1c(CCC(=O)O)c(C(C)C)nn1-c1ccccc1O.
What is the InChIKey of 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
The InChIKey is ZWKCGIKVCMKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)15-11(8-9-14(20)21)16(22-3)18(17-15)12-6-4-5-7-13(12)19/h4-7,10,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid?
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 117123755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).