6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C10H6N6O4 — CID 1276707

IUPAC6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3[nH]ncc3[N+](=O)[O-])cn2n1
InChIInChI=1S/C10H6N6O4/c17-10(18)6-1-8-11-2-5(4-15(8)14-6)9-7(16(19)20)3-12-13-9/h1-4H,(H,12,13)(H,17,18)
InChIKeyUGRMJXVANMAFNQ-UHFFFAOYSA-N
MW274.20 g/mol
LogP0.73
Rot. Bonds3

About 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 1276707) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID1276707
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Name6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3[nH]ncc3[N+](=O)[O-])cn2n1
InChIInChI=1S/C10H6N6O4/c17-10(18)6-1-8-11-2-5(4-15(8)14-6)9-7(16(19)20)3-12-13-9/h1-4H,(H,12,13)(H,17,18)
InChIKeyUGRMJXVANMAFNQ-UHFFFAOYSA-N
XLogP0.73
TPSA139.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 1276707) is 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2ncc(-c3[nH]ncc3[N+](=O)[O-])cn2n1.
What is the InChIKey of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is UGRMJXVANMAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O4/c17-10(18)6-1-8-11-2-5(4-15(8)14-6)9-7(16(19)20)3-12-13-9/h1-4H,(H,12,13)(H,17,18).
What are the key properties of 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 1276707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).