1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine

C11H11F3N4S — CID 176884304

IUPAC1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
SMILESNc1cc(-c2cnc(C(F)(F)F)s2)nn1C1CCC1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)10-16-5-8(19-10)7-4-9(15)18(17-7)6-2-1-3-6/h4-6H,1-3,15H2
InChIKeyVQJJYYLEWMYBOQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.33
Rot. Bonds2

About 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine

1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine (PubChem CID 176884304) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
PubChem CID176884304
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
SMILESNc1cc(-c2cnc(C(F)(F)F)s2)nn1C1CCC1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)10-16-5-8(19-10)7-4-9(15)18(17-7)6-2-1-3-6/h4-6H,1-3,15H2
InChIKeyVQJJYYLEWMYBOQ-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
1-cyclopentyl-3-thiophen-2-ylpyrazol-5-amine
CID 61272800
2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784394
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-ol
CID 106784213
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524
5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123568349
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazol-5-amine
CID 104638663
1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80733483
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784301
(Z)-4-amino-5,5,5-trifluoro-2-methylimino-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pent-3-enamide;ethane;iodoastatine
CID 177050160
5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123282994
5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118636617

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine (CID 176884304) is 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine is Nc1cc(-c2cnc(C(F)(F)F)s2)nn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine?
The InChIKey is VQJJYYLEWMYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c12-11(13,14)10-16-5-8(19-10)7-4-9(15)18(17-7)6-2-1-3-6/h4-6H,1-3,15H2.
What are the key properties of 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine?
1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine has a molecular weight of 288.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 176884304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).