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

C18H15BrFN7O — CID 19271737

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

1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19271737) has the molecular formula C18H15BrFN7O and a molecular weight of 444.27 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19271737
• Molecular Formula: C18H15BrFN7O
• Molecular Weight: 444.27 g/mol
• Exact Mass: 443.05
• IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccn(Cn2cc(Br)cn2)n1
• InChI: InChI=1S/C18H15BrFN7O/c19-14-7-21-27(10-14)12-25-6-5-17(24-25)18(28)23-15-8-22-26(11-15)9-13-3-1-2-4-16(13)20/h1-8,10-11H,9,12H2,(H,23,28)
• InChIKey: DRGZWRWCZSYAKT-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.27
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19271737) is 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccn(Cn2cc(Br)cn2)n1.

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

The InChIKey is DRGZWRWCZSYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN7O/c19-14-7-21-27(10-14)12-25-6-5-17(24-25)18(28)23-15-8-22-26(11-15)9-13-3-1-2-4-16(13)20/h1-8,10-11H,9,12H2,(H,23,28).

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

1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 444.27 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19271737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).