4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C19H20ClF3N6O3 — CID 19532004

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

4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19532004) has the molecular formula C19H20ClF3N6O3 and a molecular weight of 472.86 g/mol. Its IUPAC name is 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• PubChem CID: 19532004
• Molecular Formula: C19H20ClF3N6O3
• Molecular Weight: 472.86 g/mol
• Exact Mass: 472.12
• IUPAC Name: 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C19H20ClF3N6O3/c1-4-28-9-13(15(26-28)18(31)24-8-12-6-5-7-32-12)25-17(30)11(3)29-10(2)14(20)16(27-29)19(21,22)23/h5-7,9,11H,4,8H2,1-3H3,(H,24,31)(H,25,30)
• InChIKey: JBVNWJBVWYFHEY-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.86
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19532004) is 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

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

The canonical SMILES for 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)c(C(=O)NCc2ccco2)n1.

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

The InChIKey is JBVNWJBVWYFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N6O3/c1-4-28-9-13(15(26-28)18(31)24-8-12-6-5-7-32-12)25-17(30)11(3)29-10(2)14(20)16(27-29)19(21,22)23/h5-7,9,11H,4,8H2,1-3H3,(H,24,31)(H,25,30).

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

4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 472.86 g/mol, XLogP of 3.80, 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-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19532004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).