1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide

C15H20FN3O2 — CID 141184159

IUPAC1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CF)c1
InChIInChI=1S/C15H20FN3O2/c16-8-19-7-12(6-17-19)14(20)18-13-10-1-9-2-11(13)5-15(21,3-9)4-10/h6-7,9-11,13,21H,1-5,8H2,(H,18,20)
InChIKeyXOBLSAPHVKJLAS-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.48
Rot. Bonds3

About 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide

1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide (PubChem CID 141184159) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
PubChem CID141184159
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CF)c1
InChIInChI=1S/C15H20FN3O2/c16-8-19-7-12(6-17-19)14(20)18-13-10-1-9-2-11(13)5-15(21,3-9)4-10/h6-7,9-11,13,21H,1-5,8H2,(H,18,20)
InChIKeyXOBLSAPHVKJLAS-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide (CID 141184159) is 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(CF)c1.
What is the InChIKey of 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
The InChIKey is XOBLSAPHVKJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-8-19-7-12(6-17-19)14(20)18-13-10-1-9-2-11(13)5-15(21,3-9)4-10/h6-7,9-11,13,21H,1-5,8H2,(H,18,20).
What are the key properties of 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide?
1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide is sourced from PubChem (CID 141184159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).