N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H17F3N4O2 — CID 3106244

IUPACN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)16-9-14(12-5-2-1-3-6-12)24-17-10-15(25-26(16)17)18(27)23-11-13-7-4-8-28-13/h1-3,5-6,9-10,13H,4,7-8,11H2,(H,23,27)
InChIKeyMVRKYRUJIVPKBY-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.32
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3106244) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3106244
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)16-9-14(12-5-2-1-3-6-12)24-17-10-15(25-26(16)17)18(27)23-11-13-7-4-8-28-13/h1-3,5-6,9-10,13H,4,7-8,11H2,(H,23,27)
InChIKeyMVRKYRUJIVPKBY-UHFFFAOYSA-N
XLogP3.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3106244) is N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCO1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MVRKYRUJIVPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)16-9-14(12-5-2-1-3-6-12)24-17-10-15(25-26(16)17)18(27)23-11-13-7-4-8-28-13/h1-3,5-6,9-10,13H,4,7-8,11H2,(H,23,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3106244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).