2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid

C16H20N2O3 — CID 117123695

IUPAC2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)c(C(C)C)nn1-c1ccccc1C
InChIInChI=1S/C16H20N2O3/c1-10(2)15-12(9-14(19)20)16(21-4)18(17-15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyNLIZGVTWLRYHFI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.94
Rot. Bonds5

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

2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid (PubChem CID 117123695) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
PubChem CID117123695
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)c(C(C)C)nn1-c1ccccc1C
InChIInChI=1S/C16H20N2O3/c1-10(2)15-12(9-14(19)20)16(21-4)18(17-15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyNLIZGVTWLRYHFI-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755
2-[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]acetic acid
CID 115069088
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117124339
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 115069055
2-[3-(2-methylphenyl)triazol-4-yl]acetic acid
CID 43671526
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid (CID 117123695) is 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid is COc1c(CC(=O)O)c(C(C)C)nn1-c1ccccc1C.
What is the InChIKey of 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid?
The InChIKey is NLIZGVTWLRYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)15-12(9-14(19)20)16(21-4)18(17-15)13-8-6-5-7-11(13)3/h5-8,10H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid?
2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 117123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).