N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C28H23F9N8 — CID 162582007

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 162582007) has the molecular formula C28H23F9N8 and a molecular weight of 642.53 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 162582007
• Molecular Formula: C28H23F9N8
• Molecular Weight: 642.53 g/mol
• Exact Mass: 642.19
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• SMILES: CCc1cnc2c(C)cnn2c1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1
• InChI: InChI=1S/C28H23F9N8/c1-4-17-12-38-24-15(2)11-39-45(24)23(17)22-6-5-19(26(29,30)31)9-18(22)14-44(25-40-42-43(3)41-25)13-16-7-20(27(32,33)34)10-21(8-16)28(35,36)37/h5-12H,4,13-14H2,1-3H3
• InChIKey: ZKPMVROMNNECPE-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 77.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.53
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 162582007) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is CCc1cnc2c(C)cnn2c1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The InChIKey is ZKPMVROMNNECPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F9N8/c1-4-17-12-38-24-15(2)11-39-45(24)23(17)22-6-5-19(26(29,30)31)9-18(22)14-44(25-40-42-43(3)41-25)13-16-7-20(27(32,33)34)10-21(8-16)28(35,36)37/h5-12H,4,13-14H2,1-3H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 642.53 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(6-ethyl-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 162582007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).