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

C13H11N3 — CID 72698950

IUPAC2-methyl-3-(1H-pyrazol-5-yl)quinoline
SMILESCc1nc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C13H11N3/c1-9-11(13-6-7-14-16-13)8-10-4-2-3-5-12(10)15-9/h2-8H,1H3,(H,14,16)
InChIKeyHXXWHZGOCPBYOT-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-3-(1H-pyrazol-5-yl)quinoline

2-methyl-3-(1H-pyrazol-5-yl)quinoline (PubChem CID 72698950) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrazol-5-yl)quinoline.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrazol-5-yl)quinoline
PubChem CID72698950
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-3-(1H-pyrazol-5-yl)quinoline
SMILESCc1nc2ccccc2cc1-c1ccn[nH]1
InChIInChI=1S/C13H11N3/c1-9-11(13-6-7-14-16-13)8-10-4-2-3-5-12(10)15-9/h2-8H,1H3,(H,14,16)
InChIKeyHXXWHZGOCPBYOT-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 2-methyl-3-(1H-pyrazol-5-yl)quinoline?
The IUPAC name of 2-methyl-3-(1H-pyrazol-5-yl)quinoline (CID 72698950) is 2-methyl-3-(1H-pyrazol-5-yl)quinoline.
What is the SMILES notation for 2-methyl-3-(1H-pyrazol-5-yl)quinoline?
The canonical SMILES for 2-methyl-3-(1H-pyrazol-5-yl)quinoline is Cc1nc2ccccc2cc1-c1ccn[nH]1.
What is the InChIKey of 2-methyl-3-(1H-pyrazol-5-yl)quinoline?
The InChIKey is HXXWHZGOCPBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-11(13-6-7-14-16-13)8-10-4-2-3-5-12(10)15-9/h2-8H,1H3,(H,14,16).
What are the key properties of 2-methyl-3-(1H-pyrazol-5-yl)quinoline?
2-methyl-3-(1H-pyrazol-5-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 2-methyl-3-(1H-pyrazol-5-yl)quinoline is sourced from PubChem (CID 72698950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).