methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate

C14H17N3O4 — CID 118130839

IUPACmethyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
SMILESCCOc1cc(OC)c(-c2cc(C(=O)OC)nn2C)cn1
InChIInChI=1S/C14H17N3O4/c1-5-21-13-7-12(19-3)9(8-15-13)11-6-10(14(18)20-4)16-17(11)2/h6-8H,5H2,1-4H3
InChIKeyJMQPCKJZJUDZDA-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.68
Rot. Bonds5

About methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate

methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate (PubChem CID 118130839) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
PubChem CID118130839
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
SMILESCCOc1cc(OC)c(-c2cc(C(=O)OC)nn2C)cn1
InChIInChI=1S/C14H17N3O4/c1-5-21-13-7-12(19-3)9(8-15-13)11-6-10(14(18)20-4)16-17(11)2/h6-8H,5H2,1-4H3
InChIKeyJMQPCKJZJUDZDA-UHFFFAOYSA-N
XLogP1.68
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate (CID 118130839) is methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate is CCOc1cc(OC)c(-c2cc(C(=O)OC)nn2C)cn1.
What is the InChIKey of methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is JMQPCKJZJUDZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-5-21-13-7-12(19-3)9(8-15-13)11-6-10(14(18)20-4)16-17(11)2/h6-8H,5H2,1-4H3.
What are the key properties of methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate?
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 118130839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).