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

C10H6ClN3O5 — CID 43381235

IUPAC1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2Cl)cc1O
InChIInChI=1S/C10H6ClN3O5/c11-6-3-5(14(18)19)1-2-7(6)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17)
InChIKeyPGXUWBCCYOLIBH-UHFFFAOYSA-N
MW283.63 g/mol
LogP1.84
Rot. Bonds3

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

1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 43381235) has the molecular formula C10H6ClN3O5 and a molecular weight of 283.63 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID43381235
Molecular FormulaC10H6ClN3O5
Molecular Weight283.63 g/mol
Exact Mass283.00
IUPAC Name1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2Cl)cc1O
InChIInChI=1S/C10H6ClN3O5/c11-6-3-5(14(18)19)1-2-7(6)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17)
InChIKeyPGXUWBCCYOLIBH-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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Related Compounds

1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381233
1-(3-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 82865004
1-(2,4-dichloro-6-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381249
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-(2,6-dichloro-4-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63952807
1-(2-methyl-4-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951819
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
potassium 2-chloro-4-nitrophenol
CID 71150199
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
1-(3-chloro-2-nitrophenyl)-4-nitropyrazole-3-carboxylic acid
CID 107346991
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 43381235) is 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2Cl)cc1O.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is PGXUWBCCYOLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O5/c11-6-3-5(14(18)19)1-2-7(6)13-4-8(15)9(12-13)10(16)17/h1-4,15H,(H,16,17).
What are the key properties of 1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(2-chloro-4-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-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 43381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).