3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H15F3N4O — CID 71271965

IUPAC3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2c[nH]n3c(=O)cc(-c4ccncc4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,25H,9H2,1H3
InChIKeyVWGOGHQLFUOQOA-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.00
Rot. Bonds3

About 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 71271965) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID71271965
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2c[nH]n3c(=O)cc(-c4ccncc4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,25H,9H2,1H3
InChIKeyVWGOGHQLFUOQOA-UHFFFAOYSA-N
XLogP4.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 71271965) is 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(Cc2c[nH]n3c(=O)cc(-c4ccncc4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VWGOGHQLFUOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-14(3-2-4-16(12)20(21,22)23)9-15-11-25-27-18(28)10-17(26-19(15)27)13-5-7-24-8-6-13/h2-8,10-11,25H,9H2,1H3.
What are the key properties of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 384.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71271965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).