methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

C11H11N3O2 — CID 164610883

IUPACmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C11H11N3O2/c1-14-6-4-9(13-14)10-7-8(3-5-12-10)11(15)16-2/h3-7H,1-2H3
InChIKeyGPMUSYYACKYSMK-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.27
Rot. Bonds2

About methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (PubChem CID 164610883) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
PubChem CID164610883
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C11H11N3O2/c1-14-6-4-9(13-14)10-7-8(3-5-12-10)11(15)16-2/h3-7H,1-2H3
InChIKeyGPMUSYYACKYSMK-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 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (CID 164610883) is methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2ccn(C)n2)c1.
What is the InChIKey of methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The InChIKey is GPMUSYYACKYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-6-4-9(13-14)10-7-8(3-5-12-10)11(15)16-2/h3-7H,1-2H3.
What are the key properties of methyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
methyl 2-(1-methylpyrazol-3-yl)pyridine-4-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 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 164610883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).