N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C9H9F3N4S — CID 84592807

IUPACN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NCc2cscn2)cn1
InChIInChI=1S/C9H9F3N4S/c10-9(11,12)5-16-3-7(2-15-16)13-1-8-4-17-6-14-8/h2-4,6,13H,1,5H2
InChIKeyOWZYNXFGRNVEDL-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.51
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 84592807) has the molecular formula C9H9F3N4S and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID84592807
Molecular FormulaC9H9F3N4S
Molecular Weight262.26 g/mol
Exact Mass262.05
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NCc2cscn2)cn1
InChIInChI=1S/C9H9F3N4S/c10-9(11,12)5-16-3-7(2-15-16)13-1-8-4-17-6-14-8/h2-4,6,13H,1,5H2
InChIKeyOWZYNXFGRNVEDL-UHFFFAOYSA-N
XLogP2.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434824
1-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434831
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75438787
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 84592705
N-[(1-methylpyrazol-4-yl)methyl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 75431500
1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75442708
1-Methyl-1-(1,3-thiazol-4-ylmethyl)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]urea
CID 132297104

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 84592807) is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is FC(F)(F)Cn1cc(NCc2cscn2)cn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is OWZYNXFGRNVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S/c10-9(11,12)5-16-3-7(2-15-16)13-1-8-4-17-6-14-8/h2-4,6,13H,1,5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 262.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 84592807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).