methyl 6-pyrazol-1-ylpyridine-3-carboxylate

C10H9N3O2 — CID 3741563

IUPACmethyl 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)8-3-4-9(11-7-8)13-6-2-5-12-13/h2-7H,1H3
InChIKeyZNCLEEDBRQOXRG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.05
Rot. Bonds2

About methyl 6-pyrazol-1-ylpyridine-3-carboxylate

methyl 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 3741563) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID3741563
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Namemethyl 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)8-3-4-9(11-7-8)13-6-2-5-12-13/h2-7H,1H3
InChIKeyZNCLEEDBRQOXRG-UHFFFAOYSA-N
XLogP1.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-pyrazol-1-ylpyridine-3-carboxylate (CID 3741563) is methyl 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-pyrazol-1-ylpyridine-3-carboxylate is COC(=O)c1ccc(-n2cccn2)nc1.
What is the InChIKey of methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is ZNCLEEDBRQOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10(14)8-3-4-9(11-7-8)13-6-2-5-12-13/h2-7H,1H3.
What are the key properties of methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
methyl 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 3741563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).