4-methyl-2-(1H-pyrazol-4-yl)quinoline

C13H11N3 — CID 170518667

IUPAC4-methyl-2-(1H-pyrazol-4-yl)quinoline
SMILESCc1cc(-c2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C13H11N3/c1-9-6-13(10-7-14-15-8-10)16-12-5-3-2-4-11(9)12/h2-8H,1H3,(H,14,15)
InChIKeyXWZHGRDNKVELND-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

About 4-methyl-2-(1H-pyrazol-4-yl)quinoline

4-methyl-2-(1H-pyrazol-4-yl)quinoline (PubChem CID 170518667) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrazol-4-yl)quinoline
PubChem CID170518667
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-methyl-2-(1H-pyrazol-4-yl)quinoline
SMILESCc1cc(-c2cn[nH]c2)nc2ccccc12
InChIInChI=1S/C13H11N3/c1-9-6-13(10-7-14-15-8-10)16-12-5-3-2-4-11(9)12/h2-8H,1H3,(H,14,15)
InChIKeyXWZHGRDNKVELND-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-methyl-2-(1H-pyrazol-4-yl)quinoline (CID 170518667) is 4-methyl-2-(1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-methyl-2-(1H-pyrazol-4-yl)quinoline is Cc1cc(-c2cn[nH]c2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(1H-pyrazol-4-yl)quinoline?
The InChIKey is XWZHGRDNKVELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-6-13(10-7-14-15-8-10)16-12-5-3-2-4-11(9)12/h2-8H,1H3,(H,14,15).
What are the key properties of 4-methyl-2-(1H-pyrazol-4-yl)quinoline?
4-methyl-2-(1H-pyrazol-4-yl)quinoline has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 170518667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).