2-(1-tert-butylpyrazol-3-yl)quinoline

C16H17N3 — CID 134280816

IUPAC2-(1-tert-butylpyrazol-3-yl)quinoline
SMILESCC(C)(C)n1ccc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H17N3/c1-16(2,3)19-11-10-15(18-19)14-9-8-12-6-4-5-7-13(12)17-14/h4-11H,1-3H3
InChIKeyKIDUCEYSSUNNJD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.85
Rot. Bonds1

About 2-(1-tert-butylpyrazol-3-yl)quinoline

2-(1-tert-butylpyrazol-3-yl)quinoline (PubChem CID 134280816) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-3-yl)quinoline.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-3-yl)quinoline
PubChem CID134280816
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1-tert-butylpyrazol-3-yl)quinoline
SMILESCC(C)(C)n1ccc(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C16H17N3/c1-16(2,3)19-11-10-15(18-19)14-9-8-12-6-4-5-7-13(12)17-14/h4-11H,1-3H3
InChIKeyKIDUCEYSSUNNJD-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylindazole
CID 55250777
2-(2-fluorophenyl)quinoline
CID 11622684
2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
iridium;tris(2-phenylquinoline)
CID 122129463
N-methyl-6-quinolin-2-ylpyridin-2-amine
CID 116645331
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
CID 157434360
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-3-yl)quinoline?
The IUPAC name of 2-(1-tert-butylpyrazol-3-yl)quinoline (CID 134280816) is 2-(1-tert-butylpyrazol-3-yl)quinoline.
What is the SMILES notation for 2-(1-tert-butylpyrazol-3-yl)quinoline?
The canonical SMILES for 2-(1-tert-butylpyrazol-3-yl)quinoline is CC(C)(C)n1ccc(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-(1-tert-butylpyrazol-3-yl)quinoline?
The InChIKey is KIDUCEYSSUNNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)19-11-10-15(18-19)14-9-8-12-6-4-5-7-13(12)17-14/h4-11H,1-3H3.
What are the key properties of 2-(1-tert-butylpyrazol-3-yl)quinoline?
2-(1-tert-butylpyrazol-3-yl)quinoline has a molecular weight of 251.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-3-yl)quinoline is sourced from PubChem (CID 134280816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).