6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H12F3N3O — CID 113433911

IUPAC6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C(F)(F)F)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H12F3N3O/c1-3-4-7-5-8-15-9(11(12,13)14)6(2)10(18)17(8)16-7/h5,16H,3-4H2,1-2H3
InChIKeyNWNXFDJTMOYWFK-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.30
Rot. Bonds2

About 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 113433911) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID113433911
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C(F)(F)F)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H12F3N3O/c1-3-4-7-5-8-15-9(11(12,13)14)6(2)10(18)17(8)16-7/h5,16H,3-4H2,1-2H3
InChIKeyNWNXFDJTMOYWFK-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 113433911) is 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc2nc(C(F)(F)F)c(C)c(=O)n2[nH]1.
What is the InChIKey of 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NWNXFDJTMOYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-3-4-7-5-8-15-9(11(12,13)14)6(2)10(18)17(8)16-7/h5,16H,3-4H2,1-2H3.
What are the key properties of 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 259.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 113433911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).