3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide

C19H19BrF3N5O — CID 19550158

About 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19550158) has the molecular formula C19H19BrF3N5O and a molecular weight of 470.29 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
• PubChem CID: 19550158
• Molecular Formula: C19H19BrF3N5O
• Molecular Weight: 470.29 g/mol
• Exact Mass: 469.07
• IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
• SMILES: Cc1ccccc1Cn1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cn1
• InChI: InChI=1S/C19H19BrF3N5O/c1-12-5-3-4-6-14(12)10-27-11-15(9-24-27)25-16(29)7-8-28-13(2)17(20)18(26-28)19(21,22)23/h3-6,9,11H,7-8,10H2,1-2H3,(H,25,29)
• InChIKey: MABFYKWHJXVISF-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.29
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide (CID 19550158) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide is Cc1ccccc1Cn1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cn1.

What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?

The InChIKey is MABFYKWHJXVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3N5O/c1-12-5-3-4-6-14(12)10-27-11-15(9-24-27)25-16(29)7-8-28-13(2)17(20)18(26-28)19(21,22)23/h3-6,9,11H,7-8,10H2,1-2H3,(H,25,29).

What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 470.29 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).