methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate

C13H15N3O3 — CID 20677360

IUPACmethyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)n[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-5-8(2)12(17)16(3)11(7)9-6-10(15-14-9)13(18)19-4/h5-6H,1-4H3,(H,14,15)
InChIKeyXZWOYGBJMWHDDK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds2

About methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate

methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 20677360) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID20677360
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)n[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-5-8(2)12(17)16(3)11(7)9-6-10(15-14-9)13(18)19-4/h5-6H,1-4H3,(H,14,15)
InChIKeyXZWOYGBJMWHDDK-UHFFFAOYSA-N
XLogP1.18
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate (CID 20677360) is methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2c(C)cc(C)c(=O)n2C)n[nH]1.
What is the InChIKey of methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is XZWOYGBJMWHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-5-8(2)12(17)16(3)11(7)9-6-10(15-14-9)13(18)19-4/h5-6H,1-4H3,(H,14,15).
What are the key properties of methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate?
methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3,5-trimethyl-6-oxo-2-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 20677360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).