1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide

C13H14N6O — CID 80509976

IUPAC1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1nnc(-n2cc(C(N)=O)cn2)c(C#N)c1CC
InChIInChI=1S/C13H14N6O/c1-3-9-10(5-14)13(18-17-11(9)4-2)19-7-8(6-16-19)12(15)20/h6-7H,3-4H2,1-2H3,(H2,15,20)
InChIKeyXBGNXVPXGAODEK-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.76
Rot. Bonds4

About 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide

1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 80509976) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID80509976
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1nnc(-n2cc(C(N)=O)cn2)c(C#N)c1CC
InChIInChI=1S/C13H14N6O/c1-3-9-10(5-14)13(18-17-11(9)4-2)19-7-8(6-16-19)12(15)20/h6-7H,3-4H2,1-2H3,(H2,15,20)
InChIKeyXBGNXVPXGAODEK-UHFFFAOYSA-N
XLogP0.76
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide (CID 80509976) is 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide is CCc1nnc(-n2cc(C(N)=O)cn2)c(C#N)c1CC.
What is the InChIKey of 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is XBGNXVPXGAODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-9-10(5-14)13(18-17-11(9)4-2)19-7-8(6-16-19)12(15)20/h6-7H,3-4H2,1-2H3,(H2,15,20).
What are the key properties of 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide?
1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80509976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).