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

C18H22F3N3O — CID 25013548

IUPACN-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)16-14(8-22-24(16)13-1-2-13)17(25)23-15-11-4-9-3-10(6-11)7-12(15)5-9/h8-13,15H,1-7H2,(H,23,25)
InChIKeyZLXTYRQSQMYVAK-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.79
Rot. Bonds3

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

N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 25013548) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID25013548
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)16-14(8-22-24(16)13-1-2-13)17(25)23-15-11-4-9-3-10(6-11)7-12(15)5-9/h8-13,15H,1-7H2,(H,23,25)
InChIKeyZLXTYRQSQMYVAK-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 25013548) is N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(C2CC2)c1C(F)(F)F.
What is the InChIKey of N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZLXTYRQSQMYVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c19-18(20,21)16-14(8-22-24(16)13-1-2-13)17(25)23-15-11-4-9-3-10(6-11)7-12(15)5-9/h8-13,15H,1-7H2,(H,23,25).
What are the key properties of N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-cyclopropyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25013548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).