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

C19H19F3N4O2 — CID 71270807

IUPAC3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2c[nH]n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-12-13(3-2-4-15(12)19(20,21)22)9-14-11-23-26-17(27)10-16(24-18(14)26)25-5-7-28-8-6-25/h2-4,10-11,23H,5-9H2,1H3
InChIKeyBONZFPDJDIJKQF-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.78
Rot. Bonds3

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

3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 71270807) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID71270807
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(Cc2c[nH]n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-12-13(3-2-4-15(12)19(20,21)22)9-14-11-23-26-17(27)10-16(24-18(14)26)25-5-7-28-8-6-25/h2-4,10-11,23H,5-9H2,1H3
InChIKeyBONZFPDJDIJKQF-UHFFFAOYSA-N
XLogP2.78
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 71270807) is 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(Cc2c[nH]n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BONZFPDJDIJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-12-13(3-2-4-15(12)19(20,21)22)9-14-11-23-26-17(27)10-16(24-18(14)26)25-5-7-28-8-6-25/h2-4,10-11,23H,5-9H2,1H3.
What are the key properties of 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 392.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 71270807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).