4-(3,5-dimethylpyrazol-1-yl)cinnoline

C13H12N4 — CID 63810532

IUPAC4-(3,5-dimethylpyrazol-1-yl)cinnoline
SMILESCc1cc(C)n(-c2cnnc3ccccc23)n1
InChIInChI=1S/C13H12N4/c1-9-7-10(2)17(16-9)13-8-14-15-12-6-4-3-5-11(12)13/h3-8H,1-2H3
InChIKeyWSFNHXIFMXFACE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.43
Rot. Bonds1

About 4-(3,5-dimethylpyrazol-1-yl)cinnoline

4-(3,5-dimethylpyrazol-1-yl)cinnoline (PubChem CID 63810532) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)cinnoline.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)cinnoline
PubChem CID63810532
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)cinnoline
SMILESCc1cc(C)n(-c2cnnc3ccccc23)n1
InChIInChI=1S/C13H12N4/c1-9-7-10(2)17(16-9)13-8-14-15-12-6-4-3-5-11(12)13/h3-8H,1-2H3
InChIKeyWSFNHXIFMXFACE-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)cinnoline?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)cinnoline (CID 63810532) is 4-(3,5-dimethylpyrazol-1-yl)cinnoline.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)cinnoline?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)cinnoline is Cc1cc(C)n(-c2cnnc3ccccc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)cinnoline?
The InChIKey is WSFNHXIFMXFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-7-10(2)17(16-9)13-8-14-15-12-6-4-3-5-11(12)13/h3-8H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)cinnoline?
4-(3,5-dimethylpyrazol-1-yl)cinnoline has a molecular weight of 224.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)cinnoline is sourced from PubChem (CID 63810532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).