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

C18H22F3N3O2 — CID 25013857

IUPAC1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)16(25)23-14-10-3-9-4-11(14)7-17(26,5-9)6-10/h8-12,14,26H,1-7H2,(H,23,25)
InChIKeyRUBHMIRCYQGFQG-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.91
Rot. Bonds3

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

1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 25013857) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID25013857
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)16(25)23-14-10-3-9-4-11(14)7-17(26,5-9)6-10/h8-12,14,26H,1-7H2,(H,23,25)
InChIKeyRUBHMIRCYQGFQG-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 25013857) is 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C2CC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RUBHMIRCYQGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)16(25)23-14-10-3-9-4-11(14)7-17(26,5-9)6-10/h8-12,14,26H,1-7H2,(H,23,25).
What are the key properties of 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25013857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).