N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F3N4O2 — CID 127041085

IUPACN-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2c(C(F)(F)F)ccnc12
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-2-22-15-12(8-23-25(13)15)16(26)24-14-10-3-9-4-11(14)7-17(27,5-9)6-10/h1-2,8-11,14,27H,3-7H2,(H,24,26)
InChIKeyYVXQEBXXTFYPTB-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.42
Rot. Bonds2

About N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127041085) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127041085
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2c(C(F)(F)F)ccnc12
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-2-22-15-12(8-23-25(13)15)16(26)24-14-10-3-9-4-11(14)7-17(27,5-9)6-10/h1-2,8-11,14,27H,3-7H2,(H,24,26)
InChIKeyYVXQEBXXTFYPTB-UHFFFAOYSA-N
XLogP2.42
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127041085) is N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2c(C(F)(F)F)ccnc12.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YVXQEBXXTFYPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-2-22-15-12(8-23-25(13)15)16(26)24-14-10-3-9-4-11(14)7-17(27,5-9)6-10/h1-2,8-11,14,27H,3-7H2,(H,24,26).
What are the key properties of N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).