ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate

C15H18N2O3 — CID 139229097

IUPACethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1c(C)c(C)nn1-c1ccccc1OC
InChIInChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)11(3)16-17(14)12-8-6-7-9-13(12)19-4/h6-9H,5H2,1-4H3
InChIKeyKYJLTDBXSSKSMV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate

ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate (PubChem CID 139229097) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
PubChem CID139229097
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1c(C)c(C)nn1-c1ccccc1OC
InChIInChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)11(3)16-17(14)12-8-6-7-9-13(12)19-4/h6-9H,5H2,1-4H3
InChIKeyKYJLTDBXSSKSMV-UHFFFAOYSA-N
XLogP2.67
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-(2-nitrophenyl)pyrazole-3-carboxylate
CID 70085916
ethyl 5,5-dihydroxy-1-(2-methoxyphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 123654708
ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 22309705
methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 63035241
methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
ethyl (3aS,6aS)-1,5-bis(2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
CID 1418191
ethyl (3aS,6aR)-1,5-bis(2-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
CID 1418190
ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
CID 1499221
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate (CID 139229097) is ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate is CCOC(=O)c1c(C)c(C)nn1-c1ccccc1OC.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate?
The InChIKey is KYJLTDBXSSKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)11(3)16-17(14)12-8-6-7-9-13(12)19-4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate?
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 139229097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).