1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile

C9H7N5 — CID 165442021

IUPAC1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile
SMILESCn1cc(-c2cccnn2)c(C#N)n1
InChIInChI=1S/C9H7N5/c1-14-6-7(9(5-10)13-14)8-3-2-4-11-12-8/h2-4,6H,1H3
InChIKeyXCPAWIDFWNXMBA-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.75
Rot. Bonds1

About 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile

1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile (PubChem CID 165442021) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile
PubChem CID165442021
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile
SMILESCn1cc(-c2cccnn2)c(C#N)n1
InChIInChI=1S/C9H7N5/c1-14-6-7(9(5-10)13-14)8-3-2-4-11-12-8/h2-4,6H,1H3
InChIKeyXCPAWIDFWNXMBA-UHFFFAOYSA-N
XLogP0.75
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile?
The IUPAC name of 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile (CID 165442021) is 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile?
The canonical SMILES for 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile is Cn1cc(-c2cccnn2)c(C#N)n1.
What is the InChIKey of 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile?
The InChIKey is XCPAWIDFWNXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-14-6-7(9(5-10)13-14)8-3-2-4-11-12-8/h2-4,6H,1H3.
What are the key properties of 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile?
1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 165442021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).