4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide

C11H12N6O2 — CID 54551215

IUPAC4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1nn(-c2ccccn2)c(C(N)=O)c1N
InChIInChI=1S/C11H12N6O2/c1-14-11(19)8-7(12)9(10(13)18)17(16-8)6-4-2-3-5-15-6/h2-5H,12H2,1H3,(H2,13,18)(H,14,19)
InChIKeyZKAQEKOYMNGIQY-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.69
Rot. Bonds3

About 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide

4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide (PubChem CID 54551215) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide
PubChem CID54551215
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1nn(-c2ccccn2)c(C(N)=O)c1N
InChIInChI=1S/C11H12N6O2/c1-14-11(19)8-7(12)9(10(13)18)17(16-8)6-4-2-3-5-15-6/h2-5H,12H2,1H3,(H2,13,18)(H,14,19)
InChIKeyZKAQEKOYMNGIQY-UHFFFAOYSA-N
XLogP-0.69
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide (CID 54551215) is 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide is CNC(=O)c1nn(-c2ccccn2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide?
The InChIKey is ZKAQEKOYMNGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-14-11(19)8-7(12)9(10(13)18)17(16-8)6-4-2-3-5-15-6/h2-5H,12H2,1H3,(H2,13,18)(H,14,19).
What are the key properties of 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide?
4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide has a molecular weight of 260.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 54551215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).