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

C8H7F3N4S — CID 176658927

IUPAC1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1CC(F)(F)F
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)3-6-5(12)4-14-15(6)7-13-1-2-16-7/h1-2,4H,3,12H2
InChIKeyITSNKRFFHDWFCN-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.02
Rot. Bonds2

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

1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 176658927) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID176658927
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESNc1cnn(-c2nccs2)c1CC(F)(F)F
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)3-6-5(12)4-14-15(6)7-13-1-2-16-7/h1-2,4H,3,12H2
InChIKeyITSNKRFFHDWFCN-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 176658927) is 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine is Nc1cnn(-c2nccs2)c1CC(F)(F)F.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is ITSNKRFFHDWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c9-8(10,11)3-6-5(12)4-14-15(6)7-13-1-2-16-7/h1-2,4H,3,12H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine?
1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 248.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-5-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 176658927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).