[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate

C18H22F3N3O3 — CID 118234861

IUPAC[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)Oc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)27-16(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)
InChIKeyAJCZWVBHCLBLDM-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.26
Rot. Bonds3

About [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate

[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate (PubChem CID 118234861) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate.

Molecular Properties

Compound Name[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate
PubChem CID118234861
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)Oc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)27-16(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)
InChIKeyAJCZWVBHCLBLDM-UHFFFAOYSA-N
XLogP3.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
CID 67020981
5-(4-chloropyrazol-1-yl)-1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
CID 58972859
(5S)-N-(5-hydroxy-2-adamantyl)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 52939378
1-(cyclopropylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid;(5-hydroxy-2-adamantyl)azanide
CID 158332033
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
1-tert-butyl-N-(5-fluoro-2-adamantyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58972818
[1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazol-4-yl] N-(2-adamantyl)carbamate
CID 118234850
1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-amine
CID 126971873
2-(2-chloro-4-fluorophenoxy)-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
CID 11682398
4-aminoadamantan-1-ol;5-chloro-1-cyclohexylpyrazole-4-carboxylic acid
CID 172785552
1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 146515724
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate?
The IUPAC name of [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate (CID 118234861) is [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate.
What is the SMILES notation for [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate?
The canonical SMILES for [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate is O=C(NC1C2CC3CC1CC(O)(C3)C2)Oc1cnn(C2CC2)c1C(F)(F)F.
What is the InChIKey of [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate?
The InChIKey is AJCZWVBHCLBLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c19-18(20,21)15-13(8-22-24(15)12-1-2-12)27-16(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-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate?
[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate has a molecular weight of 385.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl] N-(5-hydroxy-2-adamantyl)carbamate is sourced from PubChem (CID 118234861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).