5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H9F4N5O3 — CID 19449179

IUPAC5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H9F4N5O3/c16-13(17)8-5-11(14(18)19)23-12(20-8)6-9(22-23)15(25)21-7-3-1-2-4-10(7)24(26)27/h1-6,13-14H,(H,21,25)
InChIKeyYAXCEFKZSZDYHD-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.77
Rot. Bonds5

About 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449179) has the molecular formula C15H9F4N5O3 and a molecular weight of 383.26 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449179
Molecular FormulaC15H9F4N5O3
Molecular Weight383.26 g/mol
Exact Mass383.06
IUPAC Name5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H9F4N5O3/c16-13(17)8-5-11(14(18)19)23-12(20-8)6-9(22-23)15(25)21-7-3-1-2-4-10(7)24(26)27/h1-6,13-14H,(H,21,25)
InChIKeyYAXCEFKZSZDYHD-UHFFFAOYSA-N
XLogP3.77
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449184
N-(4-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000587
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
5,7-bis(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447565
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449195
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
5,7-bis(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462611
5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19332314
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449185

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449179) is 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YAXCEFKZSZDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N5O3/c16-13(17)8-5-11(14(18)19)23-12(20-8)6-9(22-23)15(25)21-7-3-1-2-4-10(7)24(26)27/h1-6,13-14H,(H,21,25).
What are the key properties of 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 383.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).