methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate

C11H11N3O2 — CID 82634158

IUPACmethyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C11H11N3O2/c1-14-10(11(15)16-2)7-9(13-14)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyFKTIGOMNHOVPMY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.27
Rot. Bonds2

About methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate

methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate (PubChem CID 82634158) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate
PubChem CID82634158
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C11H11N3O2/c1-14-10(11(15)16-2)7-9(13-14)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyFKTIGOMNHOVPMY-UHFFFAOYSA-N
XLogP1.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.27
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-pyridin-4-ylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate (CID 82634158) is methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate is COC(=O)c1cc(-c2ccncc2)nn1C.
What is the InChIKey of methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate?
The InChIKey is FKTIGOMNHOVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-10(11(15)16-2)7-9(13-14)8-3-5-12-6-4-8/h3-7H,1-2H3.
What are the key properties of methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate?
methyl 1-methyl-3-pyridin-4-ylpyrazole-5-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.27, 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-pyridin-4-ylpyrazole-5-carboxylate is sourced from PubChem (CID 82634158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).