[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone

C12H7BrClN5O — CID 123646569

IUPAC[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
SMILESO=C(c1cc(Br)nn1-c1ncccc1Cl)n1ccnc1
InChIInChI=1S/C12H7BrClN5O/c13-10-6-9(12(20)18-5-4-15-7-18)19(17-10)11-8(14)2-1-3-16-11/h1-7H
InChIKeyOHWXTRYWJCRZKJ-UHFFFAOYSA-N
MW352.58 g/mol
LogP2.57
Rot. Bonds2

About [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone

[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone (PubChem CID 123646569) has the molecular formula C12H7BrClN5O and a molecular weight of 352.58 g/mol. Its IUPAC name is [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
PubChem CID123646569
Molecular FormulaC12H7BrClN5O
Molecular Weight352.58 g/mol
Exact Mass350.95
IUPAC Name[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
SMILESO=C(c1cc(Br)nn1-c1ncccc1Cl)n1ccnc1
InChIInChI=1S/C12H7BrClN5O/c13-10-6-9(12(20)18-5-4-15-7-18)19(17-10)11-8(14)2-1-3-16-11/h1-7H
InChIKeyOHWXTRYWJCRZKJ-UHFFFAOYSA-N
XLogP2.57
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
CID 141163748
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
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
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-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 67184068
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone?
The IUPAC name of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone (CID 123646569) is [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone is O=C(c1cc(Br)nn1-c1ncccc1Cl)n1ccnc1.
What is the InChIKey of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone?
The InChIKey is OHWXTRYWJCRZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN5O/c13-10-6-9(12(20)18-5-4-15-7-18)19(17-10)11-8(14)2-1-3-16-11/h1-7H.
What are the key properties of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone?
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone has a molecular weight of 352.58 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 123646569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).