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

C11H13F3N4O — CID 82274576

IUPAC3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(F)(F)F)nc2c1CN(C)C
InChIInChI=1S/C11H13F3N4O/c1-6-7(5-17(2)3)10-15-8(11(12,13)14)4-9(19)18(10)16-6/h4,16H,5H2,1-3H3
InChIKeyDAYKVKHUAKRNML-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.41
Rot. Bonds2

About 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82274576) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82274576
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(C(F)(F)F)nc2c1CN(C)C
InChIInChI=1S/C11H13F3N4O/c1-6-7(5-17(2)3)10-15-8(11(12,13)14)4-9(19)18(10)16-6/h4,16H,5H2,1-3H3
InChIKeyDAYKVKHUAKRNML-UHFFFAOYSA-N
XLogP1.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82274576) is 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(C(F)(F)F)nc2c1CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DAYKVKHUAKRNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6-7(5-17(2)3)10-15-8(11(12,13)14)4-9(19)18(10)16-6/h4,16H,5H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82274576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).