2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

C12H12BrClN4O — CID 823264

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1Br
InChIInChI=1S/C12H12BrClN4O/c1-7-12(13)8(2)18(17-7)6-11(19)16-10-4-3-9(14)5-15-10/h3-5H,6H2,1-2H3,(H,15,16,19)
InChIKeyKAJOYLQRBAIYSQ-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 823264) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID823264
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1Br
InChIInChI=1S/C12H12BrClN4O/c1-7-12(13)8(2)18(17-7)6-11(19)16-10-4-3-9(14)5-15-10/h3-5H,6H2,1-2H3,(H,15,16,19)
InChIKeyKAJOYLQRBAIYSQ-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 823264) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is Cc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is KAJOYLQRBAIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-7-12(13)8(2)18(17-7)6-11(19)16-10-4-3-9(14)5-15-10/h3-5H,6H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 343.61 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 823264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).