N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C14H19F3N4O — CID 99614497

IUPACN-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESC[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H19F3N4O/c1-9(12-18-6-11(22-12)13(2,3)4)20-10-5-19-21(7-10)8-14(15,16)17/h5-7,9,20H,8H2,1-4H3/t9-/m1/s1
InChIKeyRZCQEZAYLNHHAB-SECBINFHSA-N
MW316.33 g/mol
LogP3.90
Rot. Bonds4

About N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 99614497) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID99614497
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC NameN-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESC[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H19F3N4O/c1-9(12-18-6-11(22-12)13(2,3)4)20-10-5-19-21(7-10)8-14(15,16)17/h5-7,9,20H,8H2,1-4H3/t9-/m1/s1
InChIKeyRZCQEZAYLNHHAB-SECBINFHSA-N
XLogP3.90
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-[(1S)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
CID 97056204
4-methyl-2-N-[3-methyl-1-[2-(5-methyl-1,3-oxazol-2-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 152406681
N-methyl-1-[(2-propan-2-yl-1,3-oxazol-5-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 175103240
5-Tert-butyl-2-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
CID 71971722
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75521370
N-[1-(5-Tert-butyl-1,3-oxazol-2-YL)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 86791913
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 86817475
5-tert-butyl-2-[(1R)-1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-oxazole
CID 97056205
(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97824653
(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97824655
N-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 99614495
N-[(1S)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 99822993

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 99614497) is N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is RZCQEZAYLNHHAB-SECBINFHSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-9(12-18-6-11(22-12)13(2,3)4)20-10-5-19-21(7-10)8-14(15,16)17/h5-7,9,20H,8H2,1-4H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 316.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 99614497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).