methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate

C15H19N3O4 — CID 139373588

IUPACmethyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCOCc1ccn(-c2nn(C)c(C)c2C)c(=O)c1C(=O)OC
InChIInChI=1S/C15H19N3O4/c1-9-10(2)17(3)16-13(9)18-7-6-11(8-21-4)12(14(18)19)15(20)22-5/h6-7H,8H2,1-5H3
InChIKeyVPQZHZNVNIDTDV-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.12
Rot. Bonds4

About methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate

methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate (PubChem CID 139373588) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
PubChem CID139373588
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCOCc1ccn(-c2nn(C)c(C)c2C)c(=O)c1C(=O)OC
InChIInChI=1S/C15H19N3O4/c1-9-10(2)17(3)16-13(9)18-7-6-11(8-21-4)12(14(18)19)15(20)22-5/h6-7H,8H2,1-5H3
InChIKeyVPQZHZNVNIDTDV-UHFFFAOYSA-N
XLogP1.12
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate (CID 139373588) is methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate is COCc1ccn(-c2nn(C)c(C)c2C)c(=O)c1C(=O)OC.
What is the InChIKey of methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The InChIKey is VPQZHZNVNIDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-10(2)17(3)16-13(9)18-7-6-11(8-21-4)12(14(18)19)15(20)22-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 139373588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).