N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C12H11BrClN3O — CID 19287198

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C12H11BrClN3O/c1-8(18)15-12-10(13)7-17(16-12)6-9-4-2-3-5-11(9)14/h2-5,7H,6H2,1H3,(H,15,16,18)
InChIKeyDOZQYBQBOXXIFY-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.31
Rot. Bonds3

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19287198) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19287198
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C12H11BrClN3O/c1-8(18)15-12-10(13)7-17(16-12)6-9-4-2-3-5-11(9)14/h2-5,7H,6H2,1H3,(H,15,16,18)
InChIKeyDOZQYBQBOXXIFY-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025
4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286996
1-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19397061
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-ethylbenzamide
CID 19287145
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 19287185
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19479317
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517814
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569908

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19287198) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is CC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is DOZQYBQBOXXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-8(18)15-12-10(13)7-17(16-12)6-9-4-2-3-5-11(9)14/h2-5,7H,6H2,1H3,(H,15,16,18).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 328.60 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19287198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).