1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine

C46H43F3N8O10 — CID 90933201

About 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine

1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine (PubChem CID 90933201) has the molecular formula C46H43F3N8O10 and a molecular weight of 924.89 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine.

Molecular Properties

• Compound Name: 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
• PubChem CID: 90933201
• Molecular Formula: C46H43F3N8O10
• Molecular Weight: 924.89 g/mol
• Exact Mass: 924.31
• IUPAC Name: 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
• SMILES: COc1cc(-c2cnn3ccc(N(c4cc(OC)c(OC)c(OC)c4)N(c4cc(OC)c(OC)c(OC)c4)c4ccn5ncc(-c6ccc(OC(F)(F)F)cc6)c5n4)nc23)cc(OC)c1OC
• InChI: InChI=1S/C46H43F3N8O10/c1-58-33-18-27(19-34(59-2)41(33)64-7)32-25-51-55-17-15-40(53-45(32)55)57(29-22-37(62-5)43(66-9)38(23-29)63-6)56(28-20-35(60-3)42(65-8)36(21-28)61-4)39-14-16-54-44(52-39)31(24-50-54)26-10-12-30(13-11-26)67-46(47,48)49/h10-25H,1-9H3
• InChIKey: NTHSUQWOLKJYNV-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 159.16 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.89
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine?

The IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine (CID 90933201) is 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine.

What is the SMILES notation for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine?

The canonical SMILES for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine is COc1cc(-c2cnn3ccc(N(c4cc(OC)c(OC)c(OC)c4)N(c4cc(OC)c(OC)c(OC)c4)c4ccn5ncc(-c6ccc(OC(F)(F)F)cc6)c5n4)nc23)cc(OC)c1OC.

What is the InChIKey of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine?

The InChIKey is NTHSUQWOLKJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43F3N8O10/c1-58-33-18-27(19-34(59-2)41(33)64-7)32-25-51-55-17-15-40(53-45(32)55)57(29-22-37(62-5)43(66-9)38(23-29)63-6)56(28-20-35(60-3)42(65-8)36(21-28)61-4)39-14-16-54-44(52-39)31(24-50-54)26-10-12-30(13-11-26)67-46(47,48)49/h10-25H,1-9H3.

What are the key properties of 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine?

1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine has a molecular weight of 924.89 g/mol, XLogP of 8.97, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine is sourced from PubChem (CID 90933201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).