2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide

C15H20ClF3N6O — CID 110279312

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide (PubChem CID 110279312) has the molecular formula C15H20ClF3N6O and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
• PubChem CID: 110279312
• Molecular Formula: C15H20ClF3N6O
• Molecular Weight: 392.81 g/mol
• Exact Mass: 392.13
• IUPAC Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(CCN(C)C)c1
• InChI: InChI=1S/C15H20ClF3N6O/c1-9-12(16)13(15(17,18)19)22-25(9)10(2)14(26)21-11-7-20-24(8-11)6-5-23(3)4/h7-8,10H,5-6H2,1-4H3,(H,21,26)
• InChIKey: KKIOOXWHSOCNJD-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.81
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide (CID 110279312) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide.

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

The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(CCN(C)C)c1.

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

The InChIKey is KKIOOXWHSOCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N6O/c1-9-12(16)13(15(17,18)19)22-25(9)10(2)14(26)21-11-7-20-24(8-11)6-5-23(3)4/h7-8,10H,5-6H2,1-4H3,(H,21,26).

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide has a molecular weight of 392.81 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 110279312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).