3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C9H7BrN4O3 — CID 64526472

IUPAC3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)c[nH]2)n[nH]1
InChIInChI=1S/C9H7BrN4O3/c10-4-1-5(11-3-4)8(15)12-7-2-6(9(16)17)13-14-7/h1-3,11H,(H,16,17)(H2,12,13,14,15)
InChIKeyCSUFOFKZUGTSQB-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.45
Rot. Bonds3

About 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526472) has the molecular formula C9H7BrN4O3 and a molecular weight of 299.08 g/mol. Its IUPAC name is 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526472
Molecular FormulaC9H7BrN4O3
Molecular Weight299.08 g/mol
Exact Mass297.97
IUPAC Name3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Br)c[nH]2)n[nH]1
InChIInChI=1S/C9H7BrN4O3/c10-4-1-5(11-3-4)8(15)12-7-2-6(9(16)17)13-14-7/h1-3,11H,(H,16,17)(H2,12,13,14,15)
InChIKeyCSUFOFKZUGTSQB-UHFFFAOYSA-N
XLogP1.45
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.45
H-Bond Donors ≤ 54
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
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 47388348
4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 82830406
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 62072760
4-bromo-N-(thiatriazol-5-yl)-1H-pyrrole-2-carboxamide
CID 114912775
3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64526472) is 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)c2cc(Br)c[nH]2)n[nH]1.
What is the InChIKey of 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is CSUFOFKZUGTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O3/c10-4-1-5(11-3-4)8(15)12-7-2-6(9(16)17)13-14-7/h1-3,11H,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 299.08 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).