methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate

C15H19N3O2 — CID 59946932

IUPACmethyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)c(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C15H19N3O2/c1-8-7-9(2)12(16-11(8)4)13-10(3)14(15(19)20-6)18(5)17-13/h7H,1-6H3
InChIKeyODMMOUUKNCBBKA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.50
Rot. Bonds2

About methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate

methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 59946932) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID59946932
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)c(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C15H19N3O2/c1-8-7-9(2)12(16-11(8)4)13-10(3)14(15(19)20-6)18(5)17-13/h7H,1-6H3
InChIKeyODMMOUUKNCBBKA-UHFFFAOYSA-N
XLogP2.50
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (CID 59946932) is methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is COC(=O)c1c(C)c(-c2nc(C)c(C)cc2C)nn1C.
What is the InChIKey of methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is ODMMOUUKNCBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-8-7-9(2)12(16-11(8)4)13-10(3)14(15(19)20-6)18(5)17-13/h7H,1-6H3.
What are the key properties of methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 59946932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).