(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C12H12F3N3OS — CID 106784823

IUPAC(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(CC)n1
InChIInChI=1S/C12H12F3N3OS/c1-3-7-5-8(18(4-2)17-7)10(19)9-6-16-11(20-9)12(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyUHESDWQWYFZJTF-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.17
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784823) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784823
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(CC)n1
InChIInChI=1S/C12H12F3N3OS/c1-3-7-5-8(18(4-2)17-7)10(19)9-6-16-11(20-9)12(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyUHESDWQWYFZJTF-UHFFFAOYSA-N
XLogP3.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784823) is (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCc1cc(C(=O)c2cnc(C(F)(F)F)s2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is UHESDWQWYFZJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-3-7-5-8(18(4-2)17-7)10(19)9-6-16-11(20-9)12(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 303.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).