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

C15H18F3N3O2 — CID 141184146

IUPACN-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)21-7-11(6-19-21)13(22)20-12-9-1-8-2-10(12)5-14(23,3-8)4-9/h6-10,12,23H,1-5H2,(H,20,22)
InChIKeyZURYIQQAUNJZJN-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.03
Rot. Bonds2

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

N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 141184146) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID141184146
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)21-7-11(6-19-21)13(22)20-12-9-1-8-2-10(12)5-14(23,3-8)4-9/h6-10,12,23H,1-5H2,(H,20,22)
InChIKeyZURYIQQAUNJZJN-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 844723
N-[(1S,3S)-5-hydroxy-2-adamantyl]-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25012564
1-tert-butyl-N-[(1S,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25013376
1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25013377
1-cyclopropyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amide
CID 25013857
N-(5-hydroxy-2-adamantyl)-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972834
N-(5-hydroxy-2-adamantyl)-1-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972838
1-cyclopentyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972855
1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid (5-hydroxy-adamantan-2-yl)-amide
CID 58972863
1-cyclobutyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972866
1-(cyclopropylmethyl)-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972890
1-cyclohexyl-N-(5-hydroxy-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972892

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide (CID 141184146) is N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn(C(F)(F)F)c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZURYIQQAUNJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)21-7-11(6-19-21)13(22)20-12-9-1-8-2-10(12)5-14(23,3-8)4-9/h6-10,12,23H,1-5H2,(H,20,22).
What are the key properties of N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-1-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 141184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).