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

C13H9N5O3 — CID 19414583

IUPACN-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cnn2cccnc12
InChIInChI=1S/C13H9N5O3/c19-13(9-8-15-17-7-3-6-14-12(9)17)16-10-4-1-2-5-11(10)18(20)21/h1-8H,(H,16,19)
InChIKeyRJCFUJRMMCAIGE-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.89
Rot. Bonds3

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

N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414583) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414583
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC NameN-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cnn2cccnc12
InChIInChI=1S/C13H9N5O3/c19-13(9-8-15-17-7-3-6-14-12(9)17)16-10-4-1-2-5-11(10)18(20)21/h1-8H,(H,16,19)
InChIKeyRJCFUJRMMCAIGE-UHFFFAOYSA-N
XLogP1.89
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.89
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-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-(2-nitrophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416752
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[2-(2-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498397
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414444
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414583) is N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cnn2cccnc12.
What is the InChIKey of N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RJCFUJRMMCAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c19-13(9-8-15-17-7-3-6-14-12(9)17)16-10-4-1-2-5-11(10)18(20)21/h1-8H,(H,16,19).
What are the key properties of N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).