3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

C19H19ClF3N5O2 — CID 19554225

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19554225) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
• PubChem CID: 19554225
• Molecular Formula: C19H19ClF3N5O2
• Molecular Weight: 441.84 g/mol
• Exact Mass: 441.12
• IUPAC Name: 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
• SMILES: COc1cccc(Cn2cc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)cn2)c1
• InChI: InChI=1S/C19H19ClF3N5O2/c1-12-17(20)18(19(21,22)23)26-28(12)7-6-16(29)25-14-9-24-27(11-14)10-13-4-3-5-15(8-13)30-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,25,29)
• InChIKey: YGPWZJIEHQPDNY-UHFFFAOYSA-N
• XLogP: 4.15
• 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	441.84
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (CID 19554225) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.

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

The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is COc1cccc(Cn2cc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)cn2)c1.

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

The InChIKey is YGPWZJIEHQPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-12-17(20)18(19(21,22)23)26-28(12)7-6-16(29)25-14-9-24-27(11-14)10-13-4-3-5-15(8-13)30-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,25,29).

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

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 441.84 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19554225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).