2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline

C15H15N3 — CID 700871

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
SMILESCc1cc(C)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C15H15N3/c1-10-8-15(18-12(3)9-11(2)17-18)16-14-7-5-4-6-13(10)14/h4-9H,1-3H3
InChIKeyKKPBXAJPJDFRRM-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.35
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline

2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (PubChem CID 700871) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
PubChem CID700871
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline
SMILESCc1cc(C)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C15H15N3/c1-10-8-15(18-12(3)9-11(2)17-18)16-14-7-5-4-6-13(10)14/h4-9H,1-3H3
InChIKeyKKPBXAJPJDFRRM-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline (CID 700871) is 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline is Cc1cc(C)n(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
The InChIKey is KKPBXAJPJDFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-8-15(18-12(3)9-11(2)17-18)16-14-7-5-4-6-13(10)14/h4-9H,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline?
2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline has a molecular weight of 237.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-methylquinoline is sourced from PubChem (CID 700871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).