3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H8BrN5O4 — CID 19462344

IUPAC3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1nn2cccnc2c1Br
InChIInChI=1S/C13H8BrN5O4/c14-10-11(17-18-5-1-4-15-12(10)18)13(21)16-8-3-2-7(19(22)23)6-9(8)20/h1-6,20H,(H,16,21)
InChIKeyRNWGYUHKDQWJBP-UHFFFAOYSA-N
MW378.14 g/mol
LogP2.36
Rot. Bonds3

About 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462344) has the molecular formula C13H8BrN5O4 and a molecular weight of 378.14 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462344
Molecular FormulaC13H8BrN5O4
Molecular Weight378.14 g/mol
Exact Mass376.98
IUPAC Name3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1nn2cccnc2c1Br
InChIInChI=1S/C13H8BrN5O4/c14-10-11(17-18-5-1-4-15-12(10)18)13(21)16-8-3-2-7(19(22)23)6-9(8)20/h1-6,20H,(H,16,21)
InChIKeyRNWGYUHKDQWJBP-UHFFFAOYSA-N
XLogP2.36
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462119
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088
3-bromo-N-(4-chloro-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462102
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067
3-bromo-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462278
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268434
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266379
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481190

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462344) is 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RNWGYUHKDQWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN5O4/c14-10-11(17-18-5-1-4-15-12(10)18)13(21)16-8-3-2-7(19(22)23)6-9(8)20/h1-6,20H,(H,16,21).
What are the key properties of 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).