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

C12H13F3N4O2 — CID 19449489

IUPACN-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H13F3N4O2/c1-7-5-9(12(13,14)15)19-10(17-7)6-8(18-19)11(20)16-3-4-21-2/h5-6H,3-4H2,1-2H3,(H,16,20)
InChIKeyQOJMHZJTIDWDAF-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.43
Rot. Bonds4

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

N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449489) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449489
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC NameN-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H13F3N4O2/c1-7-5-9(12(13,14)15)19-10(17-7)6-8(18-19)11(20)16-3-4-21-2/h5-6H,3-4H2,1-2H3,(H,16,20)
InChIKeyQOJMHZJTIDWDAF-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449489) is N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QOJMHZJTIDWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-7-5-9(12(13,14)15)19-10(17-7)6-8(18-19)11(20)16-3-4-21-2/h5-6H,3-4H2,1-2H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).