1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

C21H17BrFN5O2 — CID 19286005

About 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19286005) has the molecular formula C21H17BrFN5O2 and a molecular weight of 470.30 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• PubChem CID: 19286005
• Molecular Formula: C21H17BrFN5O2
• Molecular Weight: 470.30 g/mol
• Exact Mass: 469.05
• IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccn(COc2ccc(Br)cc2)n1
• InChI: InChI=1S/C21H17BrFN5O2/c22-16-5-7-17(8-6-16)30-14-28-11-9-19(25-28)21(29)24-20-10-12-27(26-20)13-15-3-1-2-4-18(15)23/h1-12H,13-14H2,(H,24,26,29)
• InChIKey: GMJBUVWUQADUKW-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.30
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19286005) is 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccn(COc2ccc(Br)cc2)n1.

What is the InChIKey of 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The InChIKey is GMJBUVWUQADUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5O2/c22-16-5-7-17(8-6-16)30-14-28-11-9-19(25-28)21(29)24-20-10-12-27(26-20)13-15-3-1-2-4-18(15)23/h1-12H,13-14H2,(H,24,26,29).

What are the key properties of 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 470.30 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19286005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).