N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C16H20F3N3O — CID 4769522

IUPACN-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O/c1-22-13(16(17,18)19)7-12(21-22)15(23)20-14-10-3-8-2-9(5-10)6-11(14)4-8/h7-11,14H,2-6H2,1H3,(H,20,23)
InChIKeyHSESNQMHQHSAPN-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.99
Rot. Bonds2

About N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769522) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769522
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC NameN-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O/c1-22-13(16(17,18)19)7-12(21-22)15(23)20-14-10-3-8-2-9(5-10)6-11(14)4-8/h7-11,14H,2-6H2,1H3,(H,20,23)
InChIKeyHSESNQMHQHSAPN-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769522) is N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(F)(F)F.
What is the InChIKey of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is HSESNQMHQHSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-22-13(16(17,18)19)7-12(21-22)15(23)20-14-10-3-8-2-9(5-10)6-11(14)4-8/h7-11,14H,2-6H2,1H3,(H,20,23).
What are the key properties of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).