2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone

C14H19BrN4OS — CID 105111680

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H19BrN4OS/c1-4-7-10-14(21-18-16-10)12(20)8-11-13(15)9(5-2)17-19(11)6-3/h4-8H2,1-3H3
InChIKeyBVWSNOSBZLTXAO-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.46
Rot. Bonds7

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105111680) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105111680
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H19BrN4OS/c1-4-7-10-14(21-18-16-10)12(20)8-11-13(15)9(5-2)17-19(11)6-3/h4-8H2,1-3H3
InChIKeyBVWSNOSBZLTXAO-UHFFFAOYSA-N
XLogP3.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 105111157
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethanone
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1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-cyclopentylbutan-2-one
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2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105111691
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-5-fluorophenyl)ethanone
CID 115779453
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanone
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1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethylpent-3-en-2-one
CID 103447397
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 115779399
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)pentan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105111680) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1c(Br)c(CC)nn1CC.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is BVWSNOSBZLTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c1-4-7-10-14(21-18-16-10)12(20)8-11-13(15)9(5-2)17-19(11)6-3/h4-8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 371.30 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105111680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).