3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C19H13Br2ClN6O2 — CID 71724368

IUPAC3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1noc(-c2cc(Br)cc(C)c2NC(=O)c2cc(Br)nn2-c2ncccc2Cl)n1
InChIInChI=1S/C19H13Br2ClN6O2/c1-9-6-11(20)7-12(19-24-10(2)27-30-19)16(9)25-18(29)14-8-15(21)26-28(14)17-13(22)4-3-5-23-17/h3-8H,1-2H3,(H,25,29)
InChIKeyPLOMGUPAFMSHMM-UHFFFAOYSA-N
MW552.61 g/mol
LogP5.36
Rot. Bonds4

About 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 71724368) has the molecular formula C19H13Br2ClN6O2 and a molecular weight of 552.61 g/mol. Its IUPAC name is 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID71724368
Molecular FormulaC19H13Br2ClN6O2
Molecular Weight552.61 g/mol
Exact Mass549.92
IUPAC Name3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1noc(-c2cc(Br)cc(C)c2NC(=O)c2cc(Br)nn2-c2ncccc2Cl)n1
InChIInChI=1S/C19H13Br2ClN6O2/c1-9-6-11(20)7-12(19-24-10(2)27-30-19)16(9)25-18(29)14-8-15(21)26-28(14)17-13(22)4-3-5-23-17/h3-8H,1-2H3,(H,25,29)
InChIKeyPLOMGUPAFMSHMM-UHFFFAOYSA-N
XLogP5.36
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-[4-chloro-2-methyl-6-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71723930
3-bromo-N-[[4-chloro-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]carbamothioyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71814747
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
N-[4-bromo-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 71812878
3-bromo-N-[4-chloro-2-methyl-6-(oxetan-2-ylmethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 68934993
6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N,5-dimethylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 142609300
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2-cyano-6-methylphenyl)pyrazole-5-carboxamide
CID 71517335
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]pyrazole-5-carboxamide
CID 175164791
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[ethyl(methylamino)carbamoyl]-6-methylphenyl]pyrazole-5-carboxamide
CID 134562074
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]-methylamino]-methylcarbamic acid
CID 67468671
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 71724368) is 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is Cc1noc(-c2cc(Br)cc(C)c2NC(=O)c2cc(Br)nn2-c2ncccc2Cl)n1.
What is the InChIKey of 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is PLOMGUPAFMSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2ClN6O2/c1-9-6-11(20)7-12(19-24-10(2)27-30-19)16(9)25-18(29)14-8-15(21)26-28(14)17-13(22)4-3-5-23-17/h3-8H,1-2H3,(H,25,29).
What are the key properties of 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 552.61 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-bromo-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).