5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide

C26H22F3N5O3 — CID 86640865

About 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide

5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide (PubChem CID 86640865) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
• PubChem CID: 86640865
• Molecular Formula: C26H22F3N5O3
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.17
• IUPAC Name: 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
• SMILES: COc1ccc(-n2ncc(C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c2N)cc1
• InChI: InChI=1S/C26H22F3N5O3/c1-15-6-7-18(32-24(35)16-4-3-5-17(12-16)26(27,28)29)13-22(15)33-25(36)21-14-31-34(23(21)30)19-8-10-20(37-2)11-9-19/h3-14H,30H2,1-2H3,(H,32,35)(H,33,36)
• InChIKey: DRQZWPIHBVIUNP-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 111.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide (CID 86640865) is 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c2N)cc1.

What is the InChIKey of 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

The InChIKey is DRQZWPIHBVIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c1-15-6-7-18(32-24(35)16-4-3-5-17(12-16)26(27,28)29)13-22(15)33-25(36)21-14-31-34(23(21)30)19-8-10-20(37-2)11-9-19/h3-14H,30H2,1-2H3,(H,32,35)(H,33,36).

What are the key properties of 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide?

5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(4-methoxyphenyl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).