4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide

C19H14BrClN6O2 — CID 170356680

IUPAC4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1c(Br)cnn1-c1ncccc1Cl
InChIInChI=1S/C19H14BrClN6O2/c1-10-6-11(8-22)7-12(18(28)23-2)15(10)26-19(29)16-13(20)9-25-27(16)17-14(21)4-3-5-24-17/h3-7,9H,1-2H3,(H,23,28)(H,26,29)
InChIKeyJUMAXOBAJAQKLW-UHFFFAOYSA-N
MW473.72 g/mol
LogP3.48
Rot. Bonds4

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

4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide (PubChem CID 170356680) has the molecular formula C19H14BrClN6O2 and a molecular weight of 473.72 g/mol. Its IUPAC name is 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
PubChem CID170356680
Molecular FormulaC19H14BrClN6O2
Molecular Weight473.72 g/mol
Exact Mass472.01
IUPAC Name4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1c(Br)cnn1-c1ncccc1Cl
InChIInChI=1S/C19H14BrClN6O2/c1-10-6-11(8-22)7-12(18(28)23-2)15(10)26-19(29)16-13(20)9-25-27(16)17-14(21)4-3-5-24-17/h3-7,9H,1-2H3,(H,23,28)(H,26,29)
InChIKeyJUMAXOBAJAQKLW-UHFFFAOYSA-N
XLogP3.48
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
CID 159513798
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5,6-dichlorobenzotriazol-2-yl)methyl]pyrazole-5-carboxamide
CID 58507470
[2-[3-bromo-5-[[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]pyrazol-1-yl]-3-pyridinyl]chloranium
CID 147661338
methylamino 2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoate
CID 151096234
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyrazole-5-carboxamide
CID 58057004
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202277
3-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58057073
[[2-[[4-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carbonyl]amino]-5-cyano-3-methylbenzoyl]amino]azanide;yttrium
CID 145498240
amino-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-cyano-3-methylbenzoyl]azanide;dimethylazanide;yttrium
CID 145498242
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[ethyl(methylamino)carbamoyl]-6-methylphenyl]pyrazole-5-carboxamide
CID 134562074
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[2-(methylamino)-2-oxoethyl]phenyl]pyrazole-5-carboxamide
CID 123831656
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(4-cyclopropyltriazol-1-yl)methyl]pyrazole-5-carboxamide
CID 58507493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide (CID 170356680) is 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide is CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1c(Br)cnn1-c1ncccc1Cl.
What is the InChIKey of 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is JUMAXOBAJAQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN6O2/c1-10-6-11(8-22)7-12(18(28)23-2)15(10)26-19(29)16-13(20)9-25-27(16)17-14(21)4-3-5-24-17/h3-7,9H,1-2H3,(H,23,28)(H,26,29).
What are the key properties of 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide?
4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 473.72 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 170356680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).