1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone

C9H9N3OS — CID 79825110

IUPAC1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCn1ccc(C(=O)Cc2nccs2)n1
InChIInChI=1S/C9H9N3OS/c1-12-4-2-7(11-12)8(13)6-9-10-3-5-14-9/h2-5H,6H2,1H3
InChIKeyLEXZYBCHNDCTTN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.30
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 79825110) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID79825110
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCn1ccc(C(=O)Cc2nccs2)n1
InChIInChI=1S/C9H9N3OS/c1-12-4-2-7(11-12)8(13)6-9-10-3-5-14-9/h2-5H,6H2,1H3
InChIKeyLEXZYBCHNDCTTN-UHFFFAOYSA-N
XLogP1.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-Methyl-1,3-thiazol-4-yl)methyl]indazole-4,7-dione
CID 46702703
1-(2-Methyl-1,3-thiazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 176258622
3-[4-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 84592136
(2S)-3-[4-(difluoromethyl)-1-(2-methylpropyl)pyrazol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 97248946
(2R)-3-[4-(difluoromethyl)-1-(2-methylpropyl)pyrazol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 97248947
(1-Methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782516
(1,3-Diethylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784823
(2-Methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784988
(2,5-Dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785003
(2-Ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 113876953
(3-Ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 113876968
(1,5-Dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 114219109

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 79825110) is 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone is Cn1ccc(C(=O)Cc2nccs2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is LEXZYBCHNDCTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-4-2-7(11-12)8(13)6-9-10-3-5-14-9/h2-5H,6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 207.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 79825110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).