2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide

C11H10BrClN4O — CID 81262636

IUPAC2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H10BrClN4O/c12-9-3-7(13)1-2-10(9)16-11(18)6-17-5-8(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyYKNICLUEGCZXRJ-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide (PubChem CID 81262636) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
PubChem CID81262636
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H10BrClN4O/c12-9-3-7(13)1-2-10(9)16-11(18)6-17-5-8(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyYKNICLUEGCZXRJ-UHFFFAOYSA-N
XLogP2.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262324
1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
CID 114258348
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107363404
2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
CID 116782974
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
(2-bromo-4-chlorophenyl)urea
CID 81003362

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide (CID 81262636) is 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide is Nc1cnn(CC(=O)Nc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide?
The InChIKey is YKNICLUEGCZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c12-9-3-7(13)1-2-10(9)16-11(18)6-17-5-8(14)4-15-17/h1-5H,6,14H2,(H,16,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide has a molecular weight of 329.59 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide is sourced from PubChem (CID 81262636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).