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

C11H8BrN3O3 — CID 64527441

IUPAC3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Br)n[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)10(16)13-9-5-8(11(17)18)14-15-9/h1-5H,(H,17,18)(H2,13,14,15,16)
InChIKeyLADOHQIQGCIRRA-UHFFFAOYSA-N
MW310.11 g/mol
LogP2.12
Rot. Bonds3

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

3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527441) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527441
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Br)n[nH]1
InChIInChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)10(16)13-9-5-8(11(17)18)14-15-9/h1-5H,(H,17,18)(H2,13,14,15,16)
InChIKeyLADOHQIQGCIRRA-UHFFFAOYSA-N
XLogP2.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528655
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
benzamide;3-[(2-chloro-3-fluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 174542145
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64527441) is 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)c2ccccc2Br)n[nH]1.
What is the InChIKey of 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is LADOHQIQGCIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-7-4-2-1-3-6(7)10(16)13-9-5-8(11(17)18)14-15-9/h1-5H,(H,17,18)(H2,13,14,15,16).
What are the key properties of 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 310.11 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).