methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate

C11H12N4O3 — CID 164600692

IUPACmethyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(OC)c1-n1cccn1
InChIInChI=1S/C11H12N4O3/c1-17-10-9(15-5-3-4-13-15)7(11(16)18-2)6-8(12)14-10/h3-6H,1-2H3,(H2,12,14)
InChIKeyNZXNQOASWPFAMW-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.64
Rot. Bonds3

About methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate

methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate (PubChem CID 164600692) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate
PubChem CID164600692
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(OC)c1-n1cccn1
InChIInChI=1S/C11H12N4O3/c1-17-10-9(15-5-3-4-13-15)7(11(16)18-2)6-8(12)14-10/h3-6H,1-2H3,(H2,12,14)
InChIKeyNZXNQOASWPFAMW-UHFFFAOYSA-N
XLogP0.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate (CID 164600692) is methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate is COC(=O)c1cc(N)nc(OC)c1-n1cccn1.
What is the InChIKey of methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate?
The InChIKey is NZXNQOASWPFAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-10-9(15-5-3-4-13-15)7(11(16)18-2)6-8(12)14-10/h3-6H,1-2H3,(H2,12,14).
What are the key properties of methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate?
methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-methoxy-3-pyrazol-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 164600692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).