methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate

C14H16N2O3 — CID 62269593

IUPACmethyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OC)nn2C)cc1
InChIInChI=1S/C14H16N2O3/c1-4-19-11-7-5-10(6-8-11)13-9-12(14(17)18-3)15-16(13)2/h5-9H,4H2,1-3H3
InChIKeyDXYUIIYGEDKGSF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.27
Rot. Bonds4

About methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate

methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 62269593) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID62269593
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OC)nn2C)cc1
InChIInChI=1S/C14H16N2O3/c1-4-19-11-7-5-10(6-8-11)13-9-12(14(17)18-3)15-16(13)2/h5-9H,4H2,1-3H3
InChIKeyDXYUIIYGEDKGSF-UHFFFAOYSA-N
XLogP2.27
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 118736176
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate (CID 62269593) is methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate is CCOc1ccc(-c2cc(C(=O)OC)nn2C)cc1.
What is the InChIKey of methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is DXYUIIYGEDKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-11-7-5-10(6-8-11)13-9-12(14(17)18-3)15-16(13)2/h5-9H,4H2,1-3H3.
What are the key properties of methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate?
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 62269593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).