2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol

C12H17BrN4OS — CID 105105690

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C12H17BrN4OS/c1-4-7-11(13)9(17(3)15-7)6-10(18)12-8(5-2)14-16-19-12/h10,18H,4-6H2,1-3H3
InChIKeyLAGMHSWKVJYCDP-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol (PubChem CID 105105690) has the molecular formula C12H17BrN4OS and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
PubChem CID105105690
Molecular FormulaC12H17BrN4OS
Molecular Weight345.27 g/mol
Exact Mass344.03
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C12H17BrN4OS/c1-4-7-11(13)9(17(3)15-7)6-10(18)12-8(5-2)14-16-19-12/h10,18H,4-6H2,1-3H3
InChIKeyLAGMHSWKVJYCDP-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethyl]hydrazine
CID 105314896
1-(4-aminophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695456
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105694
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
CID 105105629
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572568
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol (CID 105105690) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol is CCc1nnsc1C(O)Cc1c(Br)c(CC)nn1C.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The InChIKey is LAGMHSWKVJYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4OS/c1-4-7-11(13)9(17(3)15-7)6-10(18)12-8(5-2)14-16-19-12/h10,18H,4-6H2,1-3H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol has a molecular weight of 345.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105105690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).