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

C10H5N6O4- — CID 7201042

IUPAC6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
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)/p-1
InChIKeyHBNGUIKPCRXXCT-UHFFFAOYSA-M
MW273.19 g/mol
LogP-0.81
Rot. Bonds3

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

6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 7201042) has the molecular formula C10H5N6O4- and a molecular weight of 273.19 g/mol. Its IUPAC name is 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID7201042
Molecular FormulaC10H5N6O4-
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
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)/p-1
InChIKeyHBNGUIKPCRXXCT-UHFFFAOYSA-M
XLogP-0.81
TPSA131.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-carboxylate?
The IUPAC name of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 7201042) is 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate 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-carboxylate?
The InChIKey is HBNGUIKPCRXXCT-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 273.19 g/mol, XLogP of -0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 7201042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).