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

C18H15F3N4O — CID 1164880

IUPACN-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)15-8-13(12-6-7-12)23-16-9-14(24-25(15)16)17(26)22-10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,22,26)
InChIKeyRQGFAACWQVTRNG-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.56
Rot. Bonds4

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

N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1164880) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1164880
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)15-8-13(12-6-7-12)23-16-9-14(24-25(15)16)17(26)22-10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,22,26)
InChIKeyRQGFAACWQVTRNG-UHFFFAOYSA-N
XLogP3.56
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1164880) is N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccccc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RQGFAACWQVTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)15-8-13(12-6-7-12)23-16-9-14(24-25(15)16)17(26)22-10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,22,26).
What are the key properties of N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1164880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).