3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

C12H15BrN4OS — CID 4773784

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2nccs2)c(C)c1Br
InChIInChI=1S/C12H15BrN4OS/c1-7(11(18)15-12-14-4-5-19-12)6-17-9(3)10(13)8(2)16-17/h4-5,7H,6H2,1-3H3,(H,14,15,18)
InChIKeyWAQGPACIHFZBQE-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4773784) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4773784
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2nccs2)c(C)c1Br
InChIInChI=1S/C12H15BrN4OS/c1-7(11(18)15-12-14-4-5-19-12)6-17-9(3)10(13)8(2)16-17/h4-5,7H,6H2,1-3H3,(H,14,15,18)
InChIKeyWAQGPACIHFZBQE-UHFFFAOYSA-N
XLogP2.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 4773784) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is Cc1nn(CC(C)C(=O)Nc2nccs2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WAQGPACIHFZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-7(11(18)15-12-14-4-5-19-12)6-17-9(3)10(13)8(2)16-17/h4-5,7H,6H2,1-3H3,(H,14,15,18).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 343.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).