3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C11H7BrClN3O3 — CID 64527085

IUPAC3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)n[nH]1
InChIInChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeySUQJVRQXMIYSMT-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.78
Rot. Bonds3

About 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527085) has the molecular formula C11H7BrClN3O3 and a molecular weight of 344.55 g/mol. Its IUPAC name is 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527085
Molecular FormulaC11H7BrClN3O3
Molecular Weight344.55 g/mol
Exact Mass342.94
IUPAC Name3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)n[nH]1
InChIInChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17)
InChIKeySUQJVRQXMIYSMT-UHFFFAOYSA-N
XLogP2.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753152
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472
3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526265
3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529049
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64527085) is 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)n[nH]1.
What is the InChIKey of 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is SUQJVRQXMIYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(17)14-9-4-8(11(18)19)15-16-9/h1-4H,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 344.55 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).