7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine

C18H11FN4O2 — CID 66498127

IUPAC7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cc(-c2ccnc3c(-c4ccccc4)cnn23)ccc1F
InChIInChI=1S/C18H11FN4O2/c19-15-7-6-13(10-17(15)23(24)25)16-8-9-20-18-14(11-21-22(16)18)12-4-2-1-3-5-12/h1-11H
InChIKeyZEGBQDFIQFIGRP-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.11
Rot. Bonds3

About 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine

7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 66498127) has the molecular formula C18H11FN4O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID66498127
Molecular FormulaC18H11FN4O2
Molecular Weight334.31 g/mol
Exact Mass334.09
IUPAC Name7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cc(-c2ccnc3c(-c4ccccc4)cnn23)ccc1F
InChIInChI=1S/C18H11FN4O2/c19-15-7-6-13(10-17(15)23(24)25)16-8-9-20-18-14(11-21-22(16)18)12-4-2-1-3-5-12/h1-11H
InChIKeyZEGBQDFIQFIGRP-UHFFFAOYSA-N
XLogP4.11
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.11
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-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine (CID 66498127) is 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cc(-c2ccnc3c(-c4ccccc4)cnn23)ccc1F.
What is the InChIKey of 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZEGBQDFIQFIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O2/c19-15-7-6-13(10-17(15)23(24)25)16-8-9-20-18-14(11-21-22(16)18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 334.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).