4-methyl-2-pyrazol-1-ylquinoline

C13H11N3 — CID 10632206

IUPAC4-methyl-2-pyrazol-1-ylquinoline
SMILESCc1cc(-n2cccn2)nc2ccccc12
InChIInChI=1S/C13H11N3/c1-10-9-13(16-8-4-7-14-16)15-12-6-3-2-5-11(10)12/h2-9H,1H3
InChIKeyVAFIKGBTZYGZQU-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.73
Rot. Bonds1

About 4-methyl-2-pyrazol-1-ylquinoline

4-methyl-2-pyrazol-1-ylquinoline (PubChem CID 10632206) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name4-methyl-2-pyrazol-1-ylquinoline
PubChem CID10632206
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-methyl-2-pyrazol-1-ylquinoline
SMILESCc1cc(-n2cccn2)nc2ccccc12
InChIInChI=1S/C13H11N3/c1-10-9-13(16-8-4-7-14-16)15-12-6-3-2-5-11(10)12/h2-9H,1H3
InChIKeyVAFIKGBTZYGZQU-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrazol-1-ylquinoline?
The IUPAC name of 4-methyl-2-pyrazol-1-ylquinoline (CID 10632206) is 4-methyl-2-pyrazol-1-ylquinoline.
What is the SMILES notation for 4-methyl-2-pyrazol-1-ylquinoline?
The canonical SMILES for 4-methyl-2-pyrazol-1-ylquinoline is Cc1cc(-n2cccn2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-pyrazol-1-ylquinoline?
The InChIKey is VAFIKGBTZYGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-9-13(16-8-4-7-14-16)15-12-6-3-2-5-11(10)12/h2-9H,1H3.
What are the key properties of 4-methyl-2-pyrazol-1-ylquinoline?
4-methyl-2-pyrazol-1-ylquinoline has a molecular weight of 209.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrazol-1-ylquinoline is sourced from PubChem (CID 10632206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).