6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H9N5O2 — CID 131865111

IUPAC6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccc([N+](=O)[O-])cc2)cnc2ccnn12
InChIInChI=1S/C12H9N5O2/c13-12-10(7-14-11-5-6-15-16(11)12)8-1-3-9(4-2-8)17(18)19/h1-7H,13H2
InChIKeyVOZLKZBEABNUDE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.89
Rot. Bonds2

About 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 131865111) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID131865111
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccc([N+](=O)[O-])cc2)cnc2ccnn12
InChIInChI=1S/C12H9N5O2/c13-12-10(7-14-11-5-6-15-16(11)12)8-1-3-9(4-2-8)17(18)19/h1-7H,13H2
InChIKeyVOZLKZBEABNUDE-UHFFFAOYSA-N
XLogP1.89
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
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

7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2807616
8-(4-nitrophenyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135789665
CID 89217409
CID 89217409
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
(4-nitrophenyl) imidazo[1,2-b]pyridazine-3-carboxylate
CID 141383552
1-tert-butyl-5-(4-fluorophenyl)-4-(4-nitrophenyl)pyrazole
CID 130297486
7-cyclopenta-2,4-dien-1-yl-3-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 164575701
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439849
ethyl (2S)-2-[3-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
CID 163637933
5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59794248
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 131865111) is 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccc([N+](=O)[O-])cc2)cnc2ccnn12.
What is the InChIKey of 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VOZLKZBEABNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-12-10(7-14-11-5-6-15-16(11)12)8-1-3-9(4-2-8)17(18)19/h1-7H,13H2.
What are the key properties of 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 131865111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).