4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

C20H20ClF3N6O3 — CID 19531714

About 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19531714) has the molecular formula C20H20ClF3N6O3 and a molecular weight of 484.87 g/mol. Its IUPAC name is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
• PubChem CID: 19531714
• Molecular Formula: C20H20ClF3N6O3
• Molecular Weight: 484.87 g/mol
• Exact Mass: 484.12
• IUPAC Name: 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
• SMILES: CC(C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
• InChI: InChI=1S/C20H20ClF3N6O3/c1-10(30-16(11-5-6-11)14(21)17(28-30)20(22,23)24)18(31)26-13-9-29(2)27-15(13)19(32)25-8-12-4-3-7-33-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,25,32)(H,26,31)
• InChIKey: IGMJDMNJXITAPL-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.87
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?

The IUPAC name of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 19531714) is 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

What is the SMILES notation for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?

The canonical SMILES for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is CC(C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)n1nc(C(F)(F)F)c(Cl)c1C1CC1.

What is the InChIKey of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?

The InChIKey is IGMJDMNJXITAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N6O3/c1-10(30-16(11-5-6-11)14(21)17(28-30)20(22,23)24)18(31)26-13-9-29(2)27-15(13)19(32)25-8-12-4-3-7-33-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,25,32)(H,26,31).

What are the key properties of 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?

4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 484.87 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19531714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).