3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide

C19H15BrClN7O2 — CID 132551910

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide (PubChem CID 132551910) has the molecular formula C19H15BrClN7O2 and a molecular weight of 488.73 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 132551910
• Molecular Formula: C19H15BrClN7O2
• Molecular Weight: 488.73 g/mol
• Exact Mass: 487.02
• IUPAC Name: 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide
• SMILES: COc1ccccc1-n1cc(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)nn1
• InChI: InChI=1S/C19H15BrClN7O2/c1-30-16-7-3-2-6-14(16)27-11-12(24-26-27)10-23-19(29)15-9-17(20)25-28(15)18-13(21)5-4-8-22-18/h2-9,11H,10H2,1H3,(H,23,29)
• InChIKey: VMBACLNZDVBKNO-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.73
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide (CID 132551910) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide is COc1ccccc1-n1cc(CNC(=O)c2cc(Br)nn2-c2ncccc2Cl)nn1.

What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is VMBACLNZDVBKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN7O2/c1-30-16-7-3-2-6-14(16)27-11-12(24-26-27)10-23-19(29)15-9-17(20)25-28(15)18-13(21)5-4-8-22-18/h2-9,11H,10H2,1H3,(H,23,29).

What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide?

3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 488.73 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 132551910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).