2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone

C10H12N4OS — CID 105111985

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1csnn1
InChIInChI=1S/C10H12N4OS/c1-3-14-8(4-7(2)12-14)5-10(15)9-6-16-13-11-9/h4,6H,3,5H2,1-2H3
InChIKeyWUMPQRPKFPOEFU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone (PubChem CID 105111985) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
PubChem CID105111985
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1csnn1
InChIInChI=1S/C10H12N4OS/c1-3-14-8(4-7(2)12-14)5-10(15)9-6-16-13-11-9/h4,6H,3,5H2,1-2H3
InChIKeyWUMPQRPKFPOEFU-UHFFFAOYSA-N
XLogP1.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone (CID 105111985) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone is CCn1nc(C)cc1CC(=O)c1csnn1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone?
The InChIKey is WUMPQRPKFPOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-3-14-8(4-7(2)12-14)5-10(15)9-6-16-13-11-9/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone has a molecular weight of 236.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 105111985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).