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

C14H17N3O2 — CID 59946915

IUPACmethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C14H17N3O2/c1-8-6-9(2)13(15-10(8)3)11-7-12(14(18)19-5)17(4)16-11/h6-7H,1-5H3
InChIKeyVACBMQAGWMWPEV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.19
Rot. Bonds2

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

methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 59946915) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID59946915
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C14H17N3O2/c1-8-6-9(2)13(15-10(8)3)11-7-12(14(18)19-5)17(4)16-11/h6-7H,1-5H3
InChIKeyVACBMQAGWMWPEV-UHFFFAOYSA-N
XLogP2.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (CID 59946915) is methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is COC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C.
What is the InChIKey of methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is VACBMQAGWMWPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-6-9(2)13(15-10(8)3)11-7-12(14(18)19-5)17(4)16-11/h6-7H,1-5H3.
What are the key properties of methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 59946915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).