6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H6N6O4 — CID 3114904

IUPAC6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(-n3cc([N+](=O)[O-])cn3)cnc12
InChIInChI=1S/C10H6N6O4/c17-10(18)8-3-13-15-4-6(1-11-9(8)15)14-5-7(2-12-14)16(19)20/h1-5H,(H,17,18)
InChIKeyHBNGUIKPCRXXCT-UHFFFAOYSA-N
MW274.20 g/mol
LogP0.52
Rot. Bonds3

About 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 3114904) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID3114904
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Name6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(-n3cc([N+](=O)[O-])cn3)cnc12
InChIInChI=1S/C10H6N6O4/c17-10(18)8-3-13-15-4-6(1-11-9(8)15)14-5-7(2-12-14)16(19)20/h1-5H,(H,17,18)
InChIKeyHBNGUIKPCRXXCT-UHFFFAOYSA-N
XLogP0.52
TPSA128.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 3114904) is 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(-n3cc([N+](=O)[O-])cn3)cnc12.
What is the InChIKey of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HBNGUIKPCRXXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O4/c17-10(18)8-3-13-15-4-6(1-11-9(8)15)14-5-7(2-12-14)16(19)20/h1-5H,(H,17,18).
What are the key properties of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 3114904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).