(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H10F3N3OS — CID 106785033

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCc1nn(C)cc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10F3N3OS/c1-3-7-6(5-17(2)16-7)9(18)8-4-15-10(19-8)11(12,13)14/h4-5H,3H2,1-2H3
InChIKeyNAIUXSGMFGBIDI-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.69
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106785033) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106785033
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCc1nn(C)cc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10F3N3OS/c1-3-7-6(5-17(2)16-7)9(18)8-4-15-10(19-8)11(12,13)14/h4-5H,3H2,1-2H3
InChIKeyNAIUXSGMFGBIDI-UHFFFAOYSA-N
XLogP2.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106785033) is (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCc1nn(C)cc1C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is NAIUXSGMFGBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-3-7-6(5-17(2)16-7)9(18)8-4-15-10(19-8)11(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 289.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106785033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).