5-(5-cyclobutylpyrazol-1-yl)quinoline

C16H15N3 — CID 139907297

IUPAC5-(5-cyclobutylpyrazol-1-yl)quinoline
SMILESc1cc(-n2nccc2C2CCC2)c2cccnc2c1
InChIInChI=1S/C16H15N3/c1-4-12(5-1)15-9-11-18-19(15)16-8-2-7-14-13(16)6-3-10-17-14/h2-3,6-12H,1,4-5H2
InChIKeyANBKSEQZEBGOBL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.69
Rot. Bonds2

About 5-(5-cyclobutylpyrazol-1-yl)quinoline

5-(5-cyclobutylpyrazol-1-yl)quinoline (PubChem CID 139907297) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(5-cyclobutylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name5-(5-cyclobutylpyrazol-1-yl)quinoline
PubChem CID139907297
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-(5-cyclobutylpyrazol-1-yl)quinoline
SMILESc1cc(-n2nccc2C2CCC2)c2cccnc2c1
InChIInChI=1S/C16H15N3/c1-4-12(5-1)15-9-11-18-19(15)16-8-2-7-14-13(16)6-3-10-17-14/h2-3,6-12H,1,4-5H2
InChIKeyANBKSEQZEBGOBL-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-propylpyrazol-1-yl)quinoline
CID 139907305
5-pyrrolidin-1-ylquinoline
CID 118731129
5-piperidin-1-ylquinoline
CID 12887802
1-quinolin-5-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942328
1-quinolin-5-yltetrazol-5-amine
CID 79506210
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 135169863
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
5-piperazin-1-ylquinoline
CID 10656226
5-cyclopropyl-1-phenylpyrazole
CID 67206706
5-(3-chlorocycloheptyl)quinoline
CID 81222338
4-tert-butyl-N-(3-cyclopropyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide
CID 86694531

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclobutylpyrazol-1-yl)quinoline?
The IUPAC name of 5-(5-cyclobutylpyrazol-1-yl)quinoline (CID 139907297) is 5-(5-cyclobutylpyrazol-1-yl)quinoline.
What is the SMILES notation for 5-(5-cyclobutylpyrazol-1-yl)quinoline?
The canonical SMILES for 5-(5-cyclobutylpyrazol-1-yl)quinoline is c1cc(-n2nccc2C2CCC2)c2cccnc2c1.
What is the InChIKey of 5-(5-cyclobutylpyrazol-1-yl)quinoline?
The InChIKey is ANBKSEQZEBGOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-4-12(5-1)15-9-11-18-19(15)16-8-2-7-14-13(16)6-3-10-17-14/h2-3,6-12H,1,4-5H2.
What are the key properties of 5-(5-cyclobutylpyrazol-1-yl)quinoline?
5-(5-cyclobutylpyrazol-1-yl)quinoline has a molecular weight of 249.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclobutylpyrazol-1-yl)quinoline is sourced from PubChem (CID 139907297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).