(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone

C14H12F3N5OS — CID 5018592

IUPAC(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCc1cc(C)n(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)n1
InChIInChI=1S/C14H12F3N5OS/c1-7-4-9(3)21(19-7)12(23)10-6-24-13(18-10)22-11(14(15,16)17)5-8(2)20-22/h4-6H,1-3H3
InChIKeyUVGFWPKGUDZHEC-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.16
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone

(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 5018592) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
PubChem CID5018592
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCc1cc(C)n(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)n1
InChIInChI=1S/C14H12F3N5OS/c1-7-4-9(3)21(19-7)12(23)10-6-24-13(18-10)22-11(14(15,16)17)5-8(2)20-22/h4-6H,1-3H3
InChIKeyUVGFWPKGUDZHEC-UHFFFAOYSA-N
XLogP3.16
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (CID 5018592) is (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is Cc1cc(C)n(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is UVGFWPKGUDZHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c1-7-4-9(3)21(19-7)12(23)10-6-24-13(18-10)22-11(14(15,16)17)5-8(2)20-22/h4-6H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
(3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 355.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 5018592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).