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

C19H24F3N3O2 — CID 58972866

IUPAC1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCC2)c1C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(9-23-25(16)13-2-1-3-13)17(26)24-15-11-4-10-5-12(15)8-18(27,6-10)7-11/h9-13,15,27H,1-8H2,(H,24,26)
InChIKeyTYJJWUOUAGHDKL-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.30
Rot. Bonds3

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

1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 58972866) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID58972866
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCC2)c1C(F)(F)F
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(9-23-25(16)13-2-1-3-13)17(26)24-15-11-4-10-5-12(15)8-18(27,6-10)7-11/h9-13,15,27H,1-8H2,(H,24,26)
InChIKeyTYJJWUOUAGHDKL-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 58972866) is 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CCC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is TYJJWUOUAGHDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)16-14(9-23-25(16)13-2-1-3-13)17(26)24-15-11-4-10-5-12(15)8-18(27,6-10)7-11/h9-13,15,27H,1-8H2,(H,24,26).
What are the key properties of 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58972866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).