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

C13H9N5O4 — CID 19414727

IUPACN-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2cccnc12
InChIInChI=1S/C13H9N5O4/c19-11-3-2-8(18(21)22)6-10(11)16-13(20)9-7-15-17-5-1-4-14-12(9)17/h1-7,19H,(H,16,20)
InChIKeyQNVFFOOBWQFWBQ-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.60
Rot. Bonds3

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

N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414727) has the molecular formula C13H9N5O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414727
Molecular FormulaC13H9N5O4
Molecular Weight299.25 g/mol
Exact Mass299.07
IUPAC NameN-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2cccnc12
InChIInChI=1S/C13H9N5O4/c19-11-3-2-8(18(21)22)6-10(11)16-13(20)9-7-15-17-5-1-4-14-12(9)17/h1-7,19H,(H,16,20)
InChIKeyQNVFFOOBWQFWBQ-UHFFFAOYSA-N
XLogP1.60
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.60
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'}

Analyze N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
N-(2-hydroxy-5-nitrophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440566
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462344
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414590
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 178051693
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414727) is N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2cccnc12.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QNVFFOOBWQFWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O4/c19-11-3-2-8(18(21)22)6-10(11)16-13(20)9-7-15-17-5-1-4-14-12(9)17/h1-7,19H,(H,16,20).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).