N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C11H11F3N4O2 — CID 19449340

IUPACN-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCO)cc2n1
InChIInChI=1S/C11H11F3N4O2/c1-6-4-8(11(12,13)14)18-9(16-6)5-7(17-18)10(20)15-2-3-19/h4-5,19H,2-3H2,1H3,(H,15,20)
InChIKeyWPUFDWZWMFHYNV-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.78
Rot. Bonds3

About N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449340) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449340
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC NameN-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCO)cc2n1
InChIInChI=1S/C11H11F3N4O2/c1-6-4-8(11(12,13)14)18-9(16-6)5-7(17-18)10(20)15-2-3-19/h4-5,19H,2-3H2,1H3,(H,15,20)
InChIKeyWPUFDWZWMFHYNV-UHFFFAOYSA-N
XLogP0.78
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449340) is N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCO)cc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WPUFDWZWMFHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6-4-8(11(12,13)14)18-9(16-6)5-7(17-18)10(20)15-2-3-19/h4-5,19H,2-3H2,1H3,(H,15,20).
What are the key properties of N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).