5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine

C7H4F2N4O2 — CID 119056308

IUPAC5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C7H4F2N4O2/c8-6(9)4-1-2-12-7(11-4)5(3-10-12)13(14)15/h1-3,6H
InChIKeyJNJFREQXMFFEPO-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.58
Rot. Bonds2

About 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine

5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 119056308) has the molecular formula C7H4F2N4O2 and a molecular weight of 214.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine
PubChem CID119056308
Molecular FormulaC7H4F2N4O2
Molecular Weight214.13 g/mol
Exact Mass214.03
IUPAC Name5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C7H4F2N4O2/c8-6(9)4-1-2-12-7(11-4)5(3-10-12)13(14)15/h1-3,6H
InChIKeyJNJFREQXMFFEPO-UHFFFAOYSA-N
XLogP1.58
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.58
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

5,7-Dimethyl-3-nitro pyrazolo[1,5-a]pyrimidine
CID 20324961
2-Methylpyrazolo(1,5-a)pyrimidin-6-amine
CID 25247809
2-Methylpyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 146154023
5-Methylpyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
CID 154577322
5,7-Dimethyl-3-nitrosopyrazolo[1,5-a]pyrimidine
CID 85875658
5-Trifluoromethylpyrazolo[1,5-a]pyrimidine
CID 67345747
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 69640590
5-Difluoromethylpyrazolo[1,5-a]pyrimidine
CID 168654912
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
5-Methyl-3-nitro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 595419
2-Trifluoromethyl-6-nitro-1,2,4-triazolo[1,5-a]pyrimidine
CID 14270102

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine (CID 119056308) is 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnn2ccc(C(F)F)nc12.
What is the InChIKey of 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is JNJFREQXMFFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4O2/c8-6(9)4-1-2-12-7(11-4)5(3-10-12)13(14)15/h1-3,6H.
What are the key properties of 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine?
5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 214.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 119056308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).