5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline

C14H12N4 — CID 169092433

IUPAC5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
SMILESc1cc(-c2cn[nH]c2C2CC2)c2nccnc2c1
InChIInChI=1S/C14H12N4/c1-2-10(14-12(3-1)15-6-7-16-14)11-8-17-18-13(11)9-4-5-9/h1-3,6-9H,4-5H2,(H,17,18)
InChIKeyMXAAAXNWWAYYFA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.90
Rot. Bonds2

About 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline

5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline (PubChem CID 169092433) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
PubChem CID169092433
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
SMILESc1cc(-c2cn[nH]c2C2CC2)c2nccnc2c1
InChIInChI=1S/C14H12N4/c1-2-10(14-12(3-1)15-6-7-16-14)11-8-17-18-13(11)9-4-5-9/h1-3,6-9H,4-5H2,(H,17,18)
InChIKeyMXAAAXNWWAYYFA-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline (CID 169092433) is 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline is c1cc(-c2cn[nH]c2C2CC2)c2nccnc2c1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The InChIKey is MXAAAXNWWAYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-10(14-12(3-1)15-6-7-16-14)11-8-17-18-13(11)9-4-5-9/h1-3,6-9H,4-5H2,(H,17,18).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline has a molecular weight of 236.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline is sourced from PubChem (CID 169092433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).