methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate

C16H20N2O3 — CID 63035241

IUPACmethyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccccc2OC)c1C
InChIInChI=1S/C16H20N2O3/c1-10(16(19)21-5)15-11(2)17-18(12(15)3)13-8-6-7-9-14(13)20-4/h6-10H,1-5H3
InChIKeyCESHDKGLLHYREK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate

methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 63035241) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID63035241
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccccc2OC)c1C
InChIInChI=1S/C16H20N2O3/c1-10(16(19)21-5)15-11(2)17-18(12(15)3)13-8-6-7-9-14(13)20-4/h6-10H,1-5H3
InChIKeyCESHDKGLLHYREK-UHFFFAOYSA-N
XLogP2.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 55209552
methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 62096373
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
CID 62085446
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(2R)-N-[(2-methoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94796021
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
ethyl 2-[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 62085800
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate (CID 63035241) is methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate is COC(=O)C(C)c1c(C)nn(-c2ccccc2OC)c1C.
What is the InChIKey of methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is CESHDKGLLHYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(16(19)21-5)15-11(2)17-18(12(15)3)13-8-6-7-9-14(13)20-4/h6-10H,1-5H3.
What are the key properties of methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 63035241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).