2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide

C22H36ClF3N4O — CID 19527102

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide (PubChem CID 19527102) has the molecular formula C22H36ClF3N4O and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
• PubChem CID: 19527102
• Molecular Formula: C22H36ClF3N4O
• Molecular Weight: 465.00 g/mol
• Exact Mass: 464.25
• IUPAC Name: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
• SMILES: CCCCCN(CCCCC)CC(C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1
• InChI: InChI=1S/C22H36ClF3N4O/c1-4-6-8-12-29(13-9-7-5-2)14-16(3)27-18(31)15-30-20(17-10-11-17)19(23)21(28-30)22(24,25)26/h16-17H,4-15H2,1-3H3,(H,27,31)
• InChIKey: GCDXTZCBDRAYCE-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.00
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide?

The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide (CID 19527102) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide.

What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide?

The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide is CCCCCN(CCCCC)CC(C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1.

What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide?

The InChIKey is GCDXTZCBDRAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClF3N4O/c1-4-6-8-12-29(13-9-7-5-2)14-16(3)27-18(31)15-30-20(17-10-11-17)19(23)21(28-30)22(24,25)26/h16-17H,4-15H2,1-3H3,(H,27,31).

What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide?

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 5.62, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide is sourced from PubChem (CID 19527102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).