1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

C11H14N6O — CID 79827052

IUPAC1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccc(N)c(N)n2)n1
InChIInChI=1S/C11H14N6O/c1-16(2)11(18)8-5-6-17(15-8)9-4-3-7(12)10(13)14-9/h3-6H,12H2,1-2H3,(H2,13,14)
InChIKeyLPPCHBDHWIPFJF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.13
Rot. Bonds2

About 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 79827052) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID79827052
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccc(N)c(N)n2)n1
InChIInChI=1S/C11H14N6O/c1-16(2)11(18)8-5-6-17(15-8)9-4-3-7(12)10(13)14-9/h3-6H,12H2,1-2H3,(H2,13,14)
InChIKeyLPPCHBDHWIPFJF-UHFFFAOYSA-N
XLogP0.13
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (CID 79827052) is 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ccc(N)c(N)n2)n1.
What is the InChIKey of 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is LPPCHBDHWIPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-16(2)11(18)8-5-6-17(15-8)9-4-3-7(12)10(13)14-9/h3-6H,12H2,1-2H3,(H2,13,14).
What are the key properties of 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 79827052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).