1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide

C11H10N6O — CID 80509952

IUPAC1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nnccc2C#N)n1
InChIInChI=1S/C11H10N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,1-2H3
InChIKeyAHBATPUPAWZASF-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.24
Rot. Bonds2

About 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80509952) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80509952
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nnccc2C#N)n1
InChIInChI=1S/C11H10N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,1-2H3
InChIKeyAHBATPUPAWZASF-UHFFFAOYSA-N
XLogP0.24
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 80509952) is 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2nnccc2C#N)n1.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is AHBATPUPAWZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-16(2)11(18)9-4-6-17(15-9)10-8(7-12)3-5-13-14-10/h3-6H,1-2H3.
What are the key properties of 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80509952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).