1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one

C11H13N3OS — CID 118531720

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCc1cc(C)n(CC(=O)Cc2nccs2)n1
InChIInChI=1S/C11H13N3OS/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11/h3-5H,6-7H2,1-2H3
InChIKeyYLUQRAOQMAYNHR-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.77
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one

1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 118531720) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID118531720
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCc1cc(C)n(CC(=O)Cc2nccs2)n1
InChIInChI=1S/C11H13N3OS/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11/h3-5H,6-7H2,1-2H3
InChIKeyYLUQRAOQMAYNHR-UHFFFAOYSA-N
XLogP1.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one (CID 118531720) is 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one is Cc1cc(C)n(CC(=O)Cc2nccs2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is YLUQRAOQMAYNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-5-9(2)14(13-8)7-10(15)6-11-12-3-4-16-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 235.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 118531720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).