5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid

C19H12Br2Cl2N4O3 — CID 175539030

IUPAC5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid
SMILESO=C(O)c1cc(Br)cc(Cl)c1N(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C19H12Br2Cl2N4O3/c20-9-6-11(19(29)30)16(13(23)7-9)26(10-3-4-10)18(28)14-8-15(21)25-27(14)17-12(22)2-1-5-24-17/h1-2,5-8,10H,3-4H2,(H,29,30)
InChIKeyTZLVSOVSDUWLOF-UHFFFAOYSA-N
MW575.04 g/mol
LogP5.61
Rot. Bonds5

About 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid

5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid (PubChem CID 175539030) has the molecular formula C19H12Br2Cl2N4O3 and a molecular weight of 575.04 g/mol. Its IUPAC name is 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid
PubChem CID175539030
Molecular FormulaC19H12Br2Cl2N4O3
Molecular Weight575.04 g/mol
Exact Mass571.87
IUPAC Name5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid
SMILESO=C(O)c1cc(Br)cc(Cl)c1N(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C19H12Br2Cl2N4O3/c20-9-6-11(19(29)30)16(13(23)7-9)26(10-3-4-10)18(28)14-8-15(21)25-27(14)17-12(22)2-1-5-24-17/h1-2,5-8,10H,3-4H2,(H,29,30)
InChIKeyTZLVSOVSDUWLOF-UHFFFAOYSA-N
XLogP5.61
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.04
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]benzoyl chloride
CID 175538981
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-methylamino]-3,5-dichlorobenzoyl chloride
CID 175538991
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(dimethylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666900
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-3,5-dichlorobenzoyl chloride
CID 175539000
3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
CID 71813408
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(diethylcarbamothioyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666934
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-ethylpyrazole-5-carboxamide
CID 155666892
[[3,5-dibromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]benzoyl]-ethylamino]-ethylcarbamic acid
CID 89488386
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-5-chlorobenzoyl chloride
CID 175539002
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide
CID 175051486
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[dimethylamino(ethyl)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 134562069
N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 156635325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid?
The IUPAC name of 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid (CID 175539030) is 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid.
What is the SMILES notation for 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid?
The canonical SMILES for 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid is O=C(O)c1cc(Br)cc(Cl)c1N(C(=O)c1cc(Br)nn1-c1ncccc1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid?
The InChIKey is TZLVSOVSDUWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2Cl2N4O3/c20-9-6-11(19(29)30)16(13(23)7-9)26(10-3-4-10)18(28)14-8-15(21)25-27(14)17-12(22)2-1-5-24-17/h1-2,5-8,10H,3-4H2,(H,29,30).
What are the key properties of 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid?
5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid has a molecular weight of 575.04 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid is sourced from PubChem (CID 175539030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).