2-(1,3,5-trimethylpyrazol-4-yl)quinoline

C15H15N3 — CID 123470704

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)quinoline
SMILESCc1nn(C)c(C)c1-c1ccc2ccccc2n1
InChIInChI=1S/C15H15N3/c1-10-15(11(2)18(3)17-10)14-9-8-12-6-4-5-7-13(12)16-14/h4-9H,1-3H3
InChIKeyQNLBVIPYXALZAQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds1

About 2-(1,3,5-trimethylpyrazol-4-yl)quinoline

2-(1,3,5-trimethylpyrazol-4-yl)quinoline (PubChem CID 123470704) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)quinoline
PubChem CID123470704
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)quinoline
SMILESCc1nn(C)c(C)c1-c1ccc2ccccc2n1
InChIInChI=1S/C15H15N3/c1-10-15(11(2)18(3)17-10)14-9-8-12-6-4-5-7-13(12)16-14/h4-9H,1-3H3
InChIKeyQNLBVIPYXALZAQ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline
CID 54258111
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
2-(ethylamino)-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196811
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] quinoline-2-carboxylate
CID 8647578
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 77084387
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 99931226
N-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyridazin-3-amine
CID 62202694

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)quinoline?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)quinoline (CID 123470704) is 2-(1,3,5-trimethylpyrazol-4-yl)quinoline.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)quinoline?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)quinoline is Cc1nn(C)c(C)c1-c1ccc2ccccc2n1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)quinoline?
The InChIKey is QNLBVIPYXALZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-15(11(2)18(3)17-10)14-9-8-12-6-4-5-7-13(12)16-14/h4-9H,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)quinoline?
2-(1,3,5-trimethylpyrazol-4-yl)quinoline has a molecular weight of 237.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)quinoline is sourced from PubChem (CID 123470704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).