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

C19H17F3N4O2 — CID 46973436

IUPAC5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C4CC(=O)N(C)C4)nc23)cc1
InChIInChI=1S/C19H17F3N4O2/c1-10-3-5-11(6-4-10)16-17(19(20,21)22)24-26-15(28)8-13(23-18(16)26)12-7-14(27)25(2)9-12/h3-6,8,12,24H,7,9H2,1-2H3
InChIKeyVMGPVADDTFURNM-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.96
Rot. Bonds2

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

5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973436) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973436
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C4CC(=O)N(C)C4)nc23)cc1
InChIInChI=1S/C19H17F3N4O2/c1-10-3-5-11(6-4-10)16-17(19(20,21)22)24-26-15(28)8-13(23-18(16)26)12-7-14(27)25(2)9-12/h3-6,8,12,24H,7,9H2,1-2H3
InChIKeyVMGPVADDTFURNM-UHFFFAOYSA-N
XLogP2.96
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973436) is 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(C4CC(=O)N(C)C4)nc23)cc1.
What is the InChIKey of 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VMGPVADDTFURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-10-3-5-11(6-4-10)16-17(19(20,21)22)24-26-15(28)8-13(23-18(16)26)12-7-14(27)25(2)9-12/h3-6,8,12,24H,7,9H2,1-2H3.
What are the key properties of 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 390.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).