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

C10H8F3N3OS — CID 114219109

IUPAC(1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)nn1C
InChIInChI=1S/C10H8F3N3OS/c1-5-3-6(15-16(5)2)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3
InChIKeyRCAJXSYIEQOMPL-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.43
Rot. Bonds2

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

(1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 114219109) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID114219109
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C(=O)c2cnc(C(F)(F)F)s2)nn1C
InChIInChI=1S/C10H8F3N3OS/c1-5-3-6(15-16(5)2)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3
InChIKeyRCAJXSYIEQOMPL-UHFFFAOYSA-N
XLogP2.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 114219109) is (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1cc(C(=O)c2cnc(C(F)(F)F)s2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RCAJXSYIEQOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-3-6(15-16(5)2)8(17)7-4-14-9(18-7)10(11,12)13/h3-4H,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 275.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 114219109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).