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

C10H11F3N4O — CID 82274577

IUPAC3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)Cc1c[nH]n2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C10H11F3N4O/c1-16(2)5-6-4-14-17-8(18)3-7(10(11,12)13)15-9(6)17/h3-4,14H,5H2,1-2H3
InChIKeySCIDJSSFPTXBQU-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.10
Rot. Bonds2

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

3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82274577) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82274577
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCN(C)Cc1c[nH]n2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C10H11F3N4O/c1-16(2)5-6-4-14-17-8(18)3-7(10(11,12)13)15-9(6)17/h3-4,14H,5H2,1-2H3
InChIKeySCIDJSSFPTXBQU-UHFFFAOYSA-N
XLogP1.10
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82274577) is 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CN(C)Cc1c[nH]n2c(=O)cc(C(F)(F)F)nc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SCIDJSSFPTXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-16(2)5-6-4-14-17-8(18)3-7(10(11,12)13)15-9(6)17/h3-4,14H,5H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82274577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).