3-(1H-pyrazol-5-yl)quinoline

C12H9N3 — CID 22660698

IUPAC3-(1H-pyrazol-5-yl)quinoline
SMILESc1ccc2ncc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C12H9N3/c1-2-4-11-9(3-1)7-10(8-13-11)12-5-6-14-15-12/h1-8H,(H,14,15)
InChIKeyAFYJPAALLHCVCH-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)quinoline

3-(1H-pyrazol-5-yl)quinoline (PubChem CID 22660698) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)quinoline.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)quinoline
PubChem CID22660698
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name3-(1H-pyrazol-5-yl)quinoline
SMILESc1ccc2ncc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C12H9N3/c1-2-4-11-9(3-1)7-10(8-13-11)12-5-6-14-15-12/h1-8H,(H,14,15)
InChIKeyAFYJPAALLHCVCH-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3-(1H-pyrazol-5-yl)quinoline
CID 50962357
3-pyridin-4-ylquinoline
CID 10081720
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-anthracen-9-ylquinoline
CID 170654314
3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
CID 141253791
3-phenyl-5-(1H-pyrazol-5-yl)pyridine
CID 90751414
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
2-quinolin-3-yl-1H-pyrimidin-6-one
CID 112754148

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)quinoline?
The IUPAC name of 3-(1H-pyrazol-5-yl)quinoline (CID 22660698) is 3-(1H-pyrazol-5-yl)quinoline.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)quinoline?
The canonical SMILES for 3-(1H-pyrazol-5-yl)quinoline is c1ccc2ncc(-c3ccn[nH]3)cc2c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)quinoline?
The InChIKey is AFYJPAALLHCVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-11-9(3-1)7-10(8-13-11)12-5-6-14-15-12/h1-8H,(H,14,15).
What are the key properties of 3-(1H-pyrazol-5-yl)quinoline?
3-(1H-pyrazol-5-yl)quinoline has a molecular weight of 195.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)quinoline is sourced from PubChem (CID 22660698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).