2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide

C13H12F3N7O2 — CID 136554439

IUPAC2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C13H12F3N7O2/c1-21-9(3-8(20-21)13(14,15)16)19-10(24)5-23-6-17-11-7(12(23)25)4-18-22(11)2/h3-4,6H,5H2,1-2H3,(H,19,24)
InChIKeyVEONKJPFMREITO-UHFFFAOYSA-N
MW355.28 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (PubChem CID 136554439) has the molecular formula C13H12F3N7O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
PubChem CID136554439
Molecular FormulaC13H12F3N7O2
Molecular Weight355.28 g/mol
Exact Mass355.10
IUPAC Name2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C13H12F3N7O2/c1-21-9(3-8(20-21)13(14,15)16)19-10(24)5-23-6-17-11-7(12(23)25)4-18-22(11)2/h3-4,6H,5H2,1-2H3,(H,19,24)
InChIKeyVEONKJPFMREITO-UHFFFAOYSA-N
XLogP0.52
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (CID 136554439) is 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is Cn1nc(C(F)(F)F)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The InChIKey is VEONKJPFMREITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7O2/c1-21-9(3-8(20-21)13(14,15)16)19-10(24)5-23-6-17-11-7(12(23)25)4-18-22(11)2/h3-4,6H,5H2,1-2H3,(H,19,24).
What are the key properties of 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide has a molecular weight of 355.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 136554439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).