N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C11H14F3N5O — CID 75500785

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCCc1noc(C(C)Nc2ccn(CC(F)(F)F)n2)n1
InChIInChI=1S/C11H14F3N5O/c1-3-8-16-10(20-18-8)7(2)15-9-4-5-19(17-9)6-11(12,13)14/h4-5,7H,3,6H2,1-2H3,(H,15,17)
InChIKeyLQJRSWMLUAITJX-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 75500785) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID75500785
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCCc1noc(C(C)Nc2ccn(CC(F)(F)F)n2)n1
InChIInChI=1S/C11H14F3N5O/c1-3-8-16-10(20-18-8)7(2)15-9-4-5-19(17-9)6-11(12,13)14/h4-5,7H,3,6H2,1-2H3,(H,15,17)
InChIKeyLQJRSWMLUAITJX-UHFFFAOYSA-N
XLogP2.56
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine with MolForge

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Related Compounds

N-cyclopropyl-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5298143
3-Propyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53592816
2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 45834453
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53606012
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53626023
N~2~-methyl-N~2~-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N~1~-(1-methyl-1H-pyrazol-3-yl)glycinamide
CID 91839701
(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 95352970
(2S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149298
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 97832508
N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazol-4-amine
CID 97832516
(2S)-2-pyrazol-1-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 124294909

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 75500785) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is CCc1noc(C(C)Nc2ccn(CC(F)(F)F)n2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is LQJRSWMLUAITJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-3-8-16-10(20-18-8)7(2)15-9-4-5-19(17-9)6-11(12,13)14/h4-5,7H,3,6H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 289.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 75500785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).