4-chloro-2-(1H-pyrazol-5-yl)quinoline

C12H8ClN3 — CID 167779045

IUPAC4-chloro-2-(1H-pyrazol-5-yl)quinoline
SMILESClc1cc(-c2ccn[nH]2)nc2ccccc12
InChIInChI=1S/C12H8ClN3/c13-9-7-12(11-5-6-14-16-11)15-10-4-2-1-3-8(9)10/h1-7H,(H,14,16)
InChIKeySSAQCNNRDGLILU-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 4-chloro-2-(1H-pyrazol-5-yl)quinoline

4-chloro-2-(1H-pyrazol-5-yl)quinoline (PubChem CID 167779045) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-2-(1H-pyrazol-5-yl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(1H-pyrazol-5-yl)quinoline
PubChem CID167779045
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name4-chloro-2-(1H-pyrazol-5-yl)quinoline
SMILESClc1cc(-c2ccn[nH]2)nc2ccccc12
InChIInChI=1S/C12H8ClN3/c13-9-7-12(11-5-6-14-16-11)15-10-4-2-1-3-8(9)10/h1-7H,(H,14,16)
InChIKeySSAQCNNRDGLILU-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-pyrazol-5-yl)quinoline?
The IUPAC name of 4-chloro-2-(1H-pyrazol-5-yl)quinoline (CID 167779045) is 4-chloro-2-(1H-pyrazol-5-yl)quinoline.
What is the SMILES notation for 4-chloro-2-(1H-pyrazol-5-yl)quinoline?
The canonical SMILES for 4-chloro-2-(1H-pyrazol-5-yl)quinoline is Clc1cc(-c2ccn[nH]2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(1H-pyrazol-5-yl)quinoline?
The InChIKey is SSAQCNNRDGLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-9-7-12(11-5-6-14-16-11)15-10-4-2-1-3-8(9)10/h1-7H,(H,14,16).
What are the key properties of 4-chloro-2-(1H-pyrazol-5-yl)quinoline?
4-chloro-2-(1H-pyrazol-5-yl)quinoline has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-pyrazol-5-yl)quinoline is sourced from PubChem (CID 167779045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).