N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide

C12H11BrClN3O — CID 103479974

IUPACN-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Br)n1cccn1
InChIInChI=1S/C12H11BrClN3O/c1-8(17-7-3-6-15-17)12(18)16-10-5-2-4-9(14)11(10)13/h2-8H,1H3,(H,16,18)
InChIKeyZLCKYARPISLKOT-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.50
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide

N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 103479974) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID103479974
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Br)n1cccn1
InChIInChI=1S/C12H11BrClN3O/c1-8(17-7-3-6-15-17)12(18)16-10-5-2-4-9(14)11(10)13/h2-8H,1H3,(H,16,18)
InChIKeyZLCKYARPISLKOT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
3-chloro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid
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N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 102979193
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CID 47156271
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
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N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
CID 103480528
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 80554367

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide (CID 103479974) is N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(Cl)c1Br)n1cccn1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is ZLCKYARPISLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-8(17-7-3-6-15-17)12(18)16-10-5-2-4-9(14)11(10)13/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide?
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 328.60 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 103479974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).