4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole

C12H16BrN3S — CID 55038899

IUPAC4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2nc(C)c(Br)c2C)cs1
InChIInChI=1S/C12H16BrN3S/c1-4-5-11-14-10(7-17-11)6-16-9(3)12(13)8(2)15-16/h7H,4-6H2,1-3H3
InChIKeyVVOGSPHLTGARPI-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.72
Rot. Bonds4

About 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole

4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole (PubChem CID 55038899) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole
PubChem CID55038899
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(Cn2nc(C)c(Br)c2C)cs1
InChIInChI=1S/C12H16BrN3S/c1-4-5-11-14-10(7-17-11)6-16-9(3)12(13)8(2)15-16/h7H,4-6H2,1-3H3
InChIKeyVVOGSPHLTGARPI-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole (CID 55038899) is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole is CCCc1nc(Cn2nc(C)c(Br)c2C)cs1.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole?
The InChIKey is VVOGSPHLTGARPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-4-5-11-14-10(7-17-11)6-16-9(3)12(13)8(2)15-16/h7H,4-6H2,1-3H3.
What are the key properties of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole?
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole has a molecular weight of 314.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 55038899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).