N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H17F3N4O2 — CID 2166914

IUPACN-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H17F3N4O2/c1-11-3-5-12(6-4-11)13-9-15(18(19,20)21)25-16(23-13)10-14(24-25)17(26)22-7-8-27-2/h3-6,9-10H,7-8H2,1-2H3,(H,22,26)
InChIKeyBEYSRPOBCBRART-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.10
Rot. Bonds5

About N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2166914) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2166914
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H17F3N4O2/c1-11-3-5-12(6-4-11)13-9-15(18(19,20)21)25-16(23-13)10-14(24-25)17(26)22-7-8-27-2/h3-6,9-10H,7-8H2,1-2H3,(H,22,26)
InChIKeyBEYSRPOBCBRART-UHFFFAOYSA-N
XLogP3.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.10
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-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2166914) is N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCNC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BEYSRPOBCBRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11-3-5-12(6-4-11)13-9-15(18(19,20)21)25-16(23-13)10-14(24-25)17(26)22-7-8-27-2/h3-6,9-10H,7-8H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2166914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).