N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

C24H19F6N5O2 — CID 16883033

About N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (PubChem CID 16883033) has the molecular formula C24H19F6N5O2 and a molecular weight of 523.44 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
• PubChem CID: 16883033
• Molecular Formula: C24H19F6N5O2
• Molecular Weight: 523.44 g/mol
• Exact Mass: 523.14
• IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
• SMILES: Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(C)nc32)cc1
• InChI: InChI=1S/C24H19F6N5O2/c1-13-3-5-18(6-4-13)35-21-19(12-31-35)22(37)34(14(2)32-21)8-7-20(36)33-17-10-15(23(25,26)27)9-16(11-17)24(28,29)30/h3-6,9-12H,7-8H2,1-2H3,(H,33,36)
• InChIKey: XEHRAAUQNFHCKY-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.44
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?

The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (CID 16883033) is N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.

What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?

The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c(C)nc32)cc1.

What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?

The InChIKey is XEHRAAUQNFHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O2/c1-13-3-5-18(6-4-13)35-21-19(12-31-35)22(37)34(14(2)32-21)8-7-20(36)33-17-10-15(23(25,26)27)9-16(11-17)24(28,29)30/h3-6,9-12H,7-8H2,1-2H3,(H,33,36).

What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?

N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide has a molecular weight of 523.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 16883033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).