N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide

C18H16BrN3O — CID 16614530

IUPACN-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16BrN3O/c1-13-9-15(19)7-8-17(13)21-18(23)10-14-11-20-22(12-14)16-5-3-2-4-6-16/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyHJTZBCQXLNGCOB-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.12
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614530) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614530
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16BrN3O/c1-13-9-15(19)7-8-17(13)21-18(23)10-14-11-20-22(12-14)16-5-3-2-4-6-16/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyHJTZBCQXLNGCOB-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 38283400
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134046181
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614530) is N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is HJTZBCQXLNGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-13-9-15(19)7-8-17(13)21-18(23)10-14-11-20-22(12-14)16-5-3-2-4-6-16/h2-9,11-12H,10H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 370.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).