7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H10N4O4 — CID 82371069

IUPAC7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2cc(-c3cccc([N+](=O)[O-])c3)nn12
InChIInChI=1S/C14H10N4O4/c1-8-11(14(19)20)7-15-13-6-12(16-17(8)13)9-3-2-4-10(5-9)18(21)22/h2-7H,1H3,(H,19,20)
InChIKeyZPQLWXNRWXSRJT-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.31
Rot. Bonds3

About 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 82371069) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID82371069
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)cnc2cc(-c3cccc([N+](=O)[O-])c3)nn12
InChIInChI=1S/C14H10N4O4/c1-8-11(14(19)20)7-15-13-6-12(16-17(8)13)9-3-2-4-10(5-9)18(21)22/h2-7H,1H3,(H,19,20)
InChIKeyZPQLWXNRWXSRJT-UHFFFAOYSA-N
XLogP2.31
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.31
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

1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
1-ethyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 20848754
5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 69132149
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
N-[3-(3-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-methyl-6-(3-nitrophenyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 163460373
2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 112756875
(2-hydroxy-5-nitrophenyl)-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 156767550
4-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
CID 53223280
5-acetyl-2-(3-nitrophenyl)pyrimidine-4-carboxylic acid
CID 82170334
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 82371069) is 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)cnc2cc(-c3cccc([N+](=O)[O-])c3)nn12.
What is the InChIKey of 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is ZPQLWXNRWXSRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c1-8-11(14(19)20)7-15-13-6-12(16-17(8)13)9-3-2-4-10(5-9)18(21)22/h2-7H,1H3,(H,19,20).
What are the key properties of 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82371069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).