2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H11FN4O3 — CID 1203817

IUPAC2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccc(F)c3)[nH]n12
InChIInChI=1S/C18H11FN4O3/c19-13-3-1-2-12(8-13)16-9-17-20-15(10-18(24)22(17)21-16)11-4-6-14(7-5-11)23(25)26/h1-10,21H
InChIKeyNGNXQPIAQHAGKV-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1203817) has the molecular formula C18H11FN4O3 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1203817
Molecular FormulaC18H11FN4O3
Molecular Weight350.31 g/mol
Exact Mass350.08
IUPAC Name2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccc(F)c3)[nH]n12
InChIInChI=1S/C18H11FN4O3/c19-13-3-1-2-12(8-13)16-9-17-20-15(10-18(24)22(17)21-16)11-4-6-14(7-5-11)23(25)26/h1-10,21H
InChIKeyNGNXQPIAQHAGKV-UHFFFAOYSA-N
XLogP3.40
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
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

5-(4-nitrophenyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 780980
2-(4-iodophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1113030
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
2-(3-fluorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270052
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3764450
3-(4-chlorophenyl)-5-(3-nitrophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192912

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1203817) is 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3cccc(F)c3)[nH]n12.
What is the InChIKey of 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NGNXQPIAQHAGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O3/c19-13-3-1-2-12(8-13)16-9-17-20-15(10-18(24)22(17)21-16)11-4-6-14(7-5-11)23(25)26/h1-10,21H.
What are the key properties of 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1203817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).