1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid

C11H7N5O4 — CID 107347057

IUPAC1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc3nccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7N5O4/c17-11(18)10-7(16(19)20)6-15(13-10)9-3-1-2-8-12-4-5-14(8)9/h1-6H,(H,17,18)
InChIKeyTUKZOCXQGDMFGA-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.13
Rot. Bonds3

About 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid

1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid (PubChem CID 107347057) has the molecular formula C11H7N5O4 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid
PubChem CID107347057
Molecular FormulaC11H7N5O4
Molecular Weight273.21 g/mol
Exact Mass273.05
IUPAC Name1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc3nccn23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H7N5O4/c17-11(18)10-7(16(19)20)6-15(13-10)9-3-1-2-8-12-4-5-14(8)9/h1-6H,(H,17,18)
InChIKeyTUKZOCXQGDMFGA-UHFFFAOYSA-N
XLogP1.13
TPSA115.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
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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Related Compounds

1-(3-chloro-2-nitrophenyl)-4-nitropyrazole-3-carboxylic acid
CID 107346991
4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid
CID 107346999
1-(5-bromopyrimidin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107346975
1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347104
1-(2-cyano-6-methylphenyl)-4-nitropyrazole-3-carboxylic acid
CID 107347122
1-(3-bromo-2-cyanophenyl)-4-nitropyrazole-3-carboxylic acid
CID 107347117
1,4-dinitropyrazole-3-carboxylic acid
CID 19620662
1-(4-nitro-1-phenylpyrazol-3-yl)ethanone
CID 58234886
1-(2-cyano-3-methylsulfanylphenyl)-4-nitropyrazole-3-carboxylic acid
CID 107347024
4-nitro-1-(6-propanoyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 107347095
4-nitro-1-[2-(2-oxo-1-pyridinyl)ethyl]pyrazole-3-carboxylic acid
CID 107345651
5-methyl-1-(2-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63981948

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid?
The IUPAC name of 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid (CID 107347057) is 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cccc3nccn23)cc1[N+](=O)[O-].
What is the InChIKey of 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid?
The InChIKey is TUKZOCXQGDMFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O4/c17-11(18)10-7(16(19)20)6-15(13-10)9-3-1-2-8-12-4-5-14(8)9/h1-6H,(H,17,18).
What are the key properties of 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid?
1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid is sourced from PubChem (CID 107347057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).