N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C14H17F3N4O — CID 2823240

IUPACN-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(C)(C)C)nn2c(C)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H17F3N4O/c1-7-6-9(14(15,16)17)19-12-10(18-8(2)22)11(13(3,4)5)20-21(7)12/h6H,1-5H3,(H,18,22)
InChIKeyXIQHNJGWIJAKCS-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.31
Rot. Bonds1

About N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 2823240) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID2823240
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC NameN-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(C)(C)C)nn2c(C)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H17F3N4O/c1-7-6-9(14(15,16)17)19-12-10(18-8(2)22)11(13(3,4)5)20-21(7)12/h6H,1-5H3,(H,18,22)
InChIKeyXIQHNJGWIJAKCS-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 2823240) is N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is CC(=O)Nc1c(C(C)(C)C)nn2c(C)cc(C(F)(F)F)nc12.
What is the InChIKey of N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is XIQHNJGWIJAKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-7-6-9(14(15,16)17)19-12-10(18-8(2)22)11(13(3,4)5)20-21(7)12/h6H,1-5H3,(H,18,22).
What are the key properties of N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 2823240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).