2-pyrazol-1-ylquinoline

C12H9N3 — CID 14387156

IUPAC2-pyrazol-1-ylquinoline
SMILESc1ccc2nc(-n3cccn3)ccc2c1
InChIInChI=1S/C12H9N3/c1-2-5-11-10(4-1)6-7-12(14-11)15-9-3-8-13-15/h1-9H
InChIKeyFCJVMVPFOBWFCW-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 2-pyrazol-1-ylquinoline

2-pyrazol-1-ylquinoline (PubChem CID 14387156) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name2-pyrazol-1-ylquinoline
PubChem CID14387156
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-pyrazol-1-ylquinoline
SMILESc1ccc2nc(-n3cccn3)ccc2c1
InChIInChI=1S/C12H9N3/c1-2-5-11-10(4-1)6-7-12(14-11)15-9-3-8-13-15/h1-9H
InChIKeyFCJVMVPFOBWFCW-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylquinoline?
The IUPAC name of 2-pyrazol-1-ylquinoline (CID 14387156) is 2-pyrazol-1-ylquinoline.
What is the SMILES notation for 2-pyrazol-1-ylquinoline?
The canonical SMILES for 2-pyrazol-1-ylquinoline is c1ccc2nc(-n3cccn3)ccc2c1.
What is the InChIKey of 2-pyrazol-1-ylquinoline?
The InChIKey is FCJVMVPFOBWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-5-11-10(4-1)6-7-12(14-11)15-9-3-8-13-15/h1-9H.
What are the key properties of 2-pyrazol-1-ylquinoline?
2-pyrazol-1-ylquinoline has a molecular weight of 195.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylquinoline is sourced from PubChem (CID 14387156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).