1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H15F3N4O — CID 7243659

IUPAC1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C20H15F3N4O/c1-13-4-2-3-5-17(13)27-18-16(10-25-27)19(28)26(12-24-18)11-14-6-8-15(9-7-14)20(21,22)23/h2-10,12H,11H2,1H3
InChIKeyNVKUFOFTXWPNPS-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243659) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243659
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C20H15F3N4O/c1-13-4-2-3-5-17(13)27-18-16(10-25-27)19(28)26(12-24-18)11-14-6-8-15(9-7-14)20(21,22)23/h2-10,12H,11H2,1H3
InChIKeyNVKUFOFTXWPNPS-UHFFFAOYSA-N
XLogP3.96
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 7243659) is 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21.
What is the InChIKey of 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NVKUFOFTXWPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-13-4-2-3-5-17(13)27-18-16(10-25-27)19(28)26(12-24-18)11-14-6-8-15(9-7-14)20(21,22)23/h2-10,12H,11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 384.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).