1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid

C10H6ClN3O5 — CID 43381233

IUPAC1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O
InChIInChI=1S/C10H6ClN3O5/c11-5-1-2-6(14(18)19)7(3-5)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17)
InChIKeyGACIUHLMHIZKTO-UHFFFAOYSA-N
MW283.63 g/mol
LogP1.84
Rot. Bonds3

About 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid

1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 43381233) has the molecular formula C10H6ClN3O5 and a molecular weight of 283.63 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID43381233
Molecular FormulaC10H6ClN3O5
Molecular Weight283.63 g/mol
Exact Mass283.00
IUPAC Name1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O
InChIInChI=1S/C10H6ClN3O5/c11-5-1-2-6(14(18)19)7(3-5)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17)
InChIKeyGACIUHLMHIZKTO-UHFFFAOYSA-N
XLogP1.84
TPSA118.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 51.84
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 43381233) is 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is GACIUHLMHIZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O5/c11-5-1-2-6(14(18)19)7(3-5)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17).
What are the key properties of 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 283.63 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 43381233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).