N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H19Cl2F3N6OS — CID 19393196

About N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19393196) has the molecular formula C25H19Cl2F3N6OS and a molecular weight of 579.44 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19393196
• Molecular Formula: C25H19Cl2F3N6OS
• Molecular Weight: 579.44 g/mol
• Exact Mass: 578.07
• IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)c(Cl)c5)n4)cc3n2)s1
• InChI: InChI=1S/C25H19Cl2F3N6OS/c1-3-15-5-7-20(38-15)18-10-21(25(28,29)30)36-23(31-18)11-19(33-36)24(37)32-22-8-13(2)35(34-22)12-14-4-6-16(26)17(27)9-14/h4-11H,3,12H2,1-2H3,(H,32,34,37)
• InChIKey: MKZRRQQPOXXKKF-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.44
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19393196) is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)c(Cl)c5)n4)cc3n2)s1.

What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is MKZRRQQPOXXKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N6OS/c1-3-15-5-7-20(38-15)18-10-21(25(28,29)30)36-23(31-18)11-19(33-36)24(37)32-22-8-13(2)35(34-22)12-14-4-6-16(26)17(27)9-14/h4-11H,3,12H2,1-2H3,(H,32,34,37).

What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 579.44 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).