1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone

C9H10N4OS — CID 66489512

IUPAC1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2nnc(C)s2)c1C
InChIInChI=1S/C9H10N4OS/c1-5-8(6(2)14)4-10-13(5)9-12-11-7(3)15-9/h4H,1-3H3
InChIKeyPQHBFXIXKHHFLY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.54
Rot. Bonds2

About 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone

1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone (PubChem CID 66489512) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone
PubChem CID66489512
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2nnc(C)s2)c1C
InChIInChI=1S/C9H10N4OS/c1-5-8(6(2)14)4-10-13(5)9-12-11-7(3)15-9/h4H,1-3H3
InChIKeyPQHBFXIXKHHFLY-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone (CID 66489512) is 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2nnc(C)s2)c1C.
What is the InChIKey of 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone?
The InChIKey is PQHBFXIXKHHFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-8(6(2)14)4-10-13(5)9-12-11-7(3)15-9/h4H,1-3H3.
What are the key properties of 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone?
1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 66489512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).