7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine

C12H8N4O2 — CID 17024817

IUPAC7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cccc(-c2ccnc3ccnn23)c1
InChIInChI=1S/C12H8N4O2/c17-16(18)10-3-1-2-9(8-10)11-4-6-13-12-5-7-14-15(11)12/h1-8H
InChIKeyOBBNCPWRLTWSHC-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.30
Rot. Bonds2

About 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine

7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 17024817) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID17024817
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cccc(-c2ccnc3ccnn23)c1
InChIInChI=1S/C12H8N4O2/c17-16(18)10-3-1-2-9(8-10)11-4-6-13-12-5-7-14-15(11)12/h1-8H
InChIKeyOBBNCPWRLTWSHC-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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Frequently Asked Questions

What is the IUPAC name of 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine (CID 17024817) is 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cccc(-c2ccnc3ccnn23)c1.
What is the InChIKey of 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OBBNCPWRLTWSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-16(18)10-3-1-2-9(8-10)11-4-6-13-12-5-7-14-15(11)12/h1-8H.
What are the key properties of 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine 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 7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17024817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).