3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C19H14BrCl2FN4O — CID 143745304

About 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 143745304) has the molecular formula C19H14BrCl2FN4O and a molecular weight of 484.16 g/mol. Its IUPAC name is 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
• PubChem CID: 143745304
• Molecular Formula: C19H14BrCl2FN4O
• Molecular Weight: 484.16 g/mol
• Exact Mass: 481.97
• IUPAC Name: 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
• SMILES: Cc1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(Cl)cc2c1C(F)CC2
• InChI: InChI=1S/C19H14BrCl2FN4O/c1-9-16-10(4-5-13(16)23)7-12(22)17(9)25-19(28)14-8-15(20)26-27(14)18-11(21)3-2-6-24-18/h2-3,6-8,13H,4-5H2,1H3,(H,25,28)
• InChIKey: OTNAFEYKZFBRAT-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.16
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?

The IUPAC name of 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 143745304) is 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is Cc1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(Cl)cc2c1C(F)CC2.

What is the InChIKey of 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?

The InChIKey is OTNAFEYKZFBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2FN4O/c1-9-16-10(4-5-13(16)23)7-12(22)17(9)25-19(28)14-8-15(20)26-27(14)18-11(21)3-2-6-24-18/h2-3,6-8,13H,4-5H2,1H3,(H,25,28).

What are the key properties of 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?

3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 484.16 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 143745304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).