4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid

C11H6N4O4S — CID 107346999

IUPAC4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2nccc3sccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6N4O4S/c16-11(17)9-7(15(18)19)5-14(13-9)10-6-2-4-20-8(6)1-3-12-10/h1-5H,(H,16,17)
InChIKeyQZUIRTOZQHKWDS-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.09
Rot. Bonds3

About 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid

4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid (PubChem CID 107346999) has the molecular formula C11H6N4O4S and a molecular weight of 290.26 g/mol. Its IUPAC name is 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid
PubChem CID107346999
Molecular FormulaC11H6N4O4S
Molecular Weight290.26 g/mol
Exact Mass290.01
IUPAC Name4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2nccc3sccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6N4O4S/c16-11(17)9-7(15(18)19)5-14(13-9)10-6-2-4-20-8(6)1-3-12-10/h1-5H,(H,16,17)
InChIKeyQZUIRTOZQHKWDS-UHFFFAOYSA-N
XLogP2.09
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.09
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-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347104
1-imidazo[1,2-a]pyridin-5-yl-4-nitropyrazole-3-carboxylic acid
CID 107347057
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347083
1-(5-bromopyrimidin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107346975
1-(4-ethyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347128
1,4-dinitropyrazole-3-carboxylic acid
CID 19620662
1-(3-chloro-2-nitrophenyl)-4-nitropyrazole-3-carboxylic acid
CID 107346991
4-nitro-1-(6-propanoyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 107347095
1-(3-bromo-2-cyanophenyl)-4-nitropyrazole-3-carboxylic acid
CID 107347117
3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
CID 166267507
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
CID 79561861
1-(2-cyano-6-methylphenyl)-4-nitropyrazole-3-carboxylic acid
CID 107347122

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid (CID 107346999) is 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid is O=C(O)c1nn(-c2nccc3sccc23)cc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is QZUIRTOZQHKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O4S/c16-11(17)9-7(15(18)19)5-14(13-9)10-6-2-4-20-8(6)1-3-12-10/h1-5H,(H,16,17).
What are the key properties of 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid?
4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid has a molecular weight of 290.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-thieno[3,2-c]pyridin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 107346999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).