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

C25H24F4N4O — CID 4916081

IUPACN-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C25H24F4N4O/c26-18-3-1-17(2-4-18)19-8-21(25(27,28)29)33-22(31-19)9-20(32-33)23(34)30-13-24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16H,5-7,10-13H2,(H,30,34)
InChIKeyDYVVUJALXFUBOY-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.50
Rot. Bonds4

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

N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4916081) has the molecular formula C25H24F4N4O and a molecular weight of 472.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4916081
Molecular FormulaC25H24F4N4O
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC NameN-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C25H24F4N4O/c26-18-3-1-17(2-4-18)19-8-21(25(27,28)29)33-22(31-19)9-20(32-33)23(34)30-13-24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16H,5-7,10-13H2,(H,30,34)
InChIKeyDYVVUJALXFUBOY-UHFFFAOYSA-N
XLogP5.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3601474
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4917372
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451686
5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453461
N-[1-(4-butan-2-ylphenyl)propyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451782
N-(1-adamantylmethyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459987
5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451781
N-(cyanomethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3500033
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449280
N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 67132884
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4150353

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4916081) is N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DYVVUJALXFUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O/c26-18-3-1-17(2-4-18)19-8-21(25(27,28)29)33-22(31-19)9-20(32-33)23(34)30-13-24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,14-16H,5-7,10-13H2,(H,30,34).
What are the key properties of N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4916081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).