1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine

C8H7F3N4S — CID 176658713

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nc(-n2ncc(N)c2C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N4S/c1-4-14-6(3-16-4)15-7(8(9,10)11)5(12)2-13-15/h2-3H,12H2,1H3
InChIKeyASWVUFHIDMLHQH-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.24
Rot. Bonds1

About 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine

1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 176658713) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID176658713
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nc(-n2ncc(N)c2C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N4S/c1-4-14-6(3-16-4)15-7(8(9,10)11)5(12)2-13-15/h2-3H,12H2,1H3
InChIKeyASWVUFHIDMLHQH-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine (CID 176658713) is 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine is Cc1nc(-n2ncc(N)c2C(F)(F)F)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is ASWVUFHIDMLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-4-14-6(3-16-4)15-7(8(9,10)11)5(12)2-13-15/h2-3H,12H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 248.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 176658713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).