4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine

C12H8N4O2 — CID 139599922

IUPAC4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccn3nccc23)cc1
InChIInChI=1S/C12H8N4O2/c17-16(18)10-3-1-9(2-4-10)12-11-5-6-14-15(11)8-7-13-12/h1-8H
InChIKeyUOWBJULUGSVQSM-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine

4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 139599922) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
PubChem CID139599922
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine
SMILESO=[N+]([O-])c1ccc(-c2nccn3nccc23)cc1
InChIInChI=1S/C12H8N4O2/c17-16(18)10-3-1-9(2-4-10)12-11-5-6-14-15(11)8-7-13-12/h1-8H
InChIKeyUOWBJULUGSVQSM-UHFFFAOYSA-N
XLogP2.30
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenoxy)pyrazolo[1,5-a]pyridine
CID 118197918
4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
CID 58190627
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
2-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 20850051
2-(2-methylphenyl)-3-(4-nitrophenyl)pyrazine
CID 126530724
[3-(4-nitrophenyl)pyrazin-2-yl]hydrazine
CID 112559568
4-[3-(4-nitrophenyl)pyrazin-2-yl]naphthalen-1-amine
CID 69408395
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321
2-(2,2-dimethylpropyl)-3-(4-nitrophenyl)pyrazine
CID 130328210
1-methyl-2-(4-nitrophenyl)pyrazolo[5,1-a]isoquinoline
CID 134909172
2-(4-fluorophenyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 69376666
3-methyl-4-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine (CID 139599922) is 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine is O=[N+]([O-])c1ccc(-c2nccn3nccc23)cc1.
What is the InChIKey of 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is UOWBJULUGSVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-16(18)10-3-1-9(2-4-10)12-11-5-6-14-15(11)8-7-13-12/h1-8H.
What are the key properties of 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine?
4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 240.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 139599922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).