N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide

C19H18BrN3O2 — CID 15896225

IUPACN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)c1
InChIInChI=1S/C19H18BrN3O2/c1-23-12-17(20)19(22-23)14-6-4-7-15(11-14)21-18(24)10-13-5-3-8-16(9-13)25-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyQVPSULANWPMTCL-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide

N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 15896225) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID15896225
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)c1
InChIInChI=1S/C19H18BrN3O2/c1-23-12-17(20)19(22-23)14-6-4-7-15(11-14)21-18(24)10-13-5-3-8-16(9-13)25-2/h3-9,11-12H,10H2,1-2H3,(H,21,24)
InChIKeyQVPSULANWPMTCL-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
CID 22594939
1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 18615997
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
2-(3-methoxyphenyl)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 110725688
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 7189324
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide (CID 15896225) is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)c1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is QVPSULANWPMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-23-12-17(20)19(22-23)14-6-4-7-15(11-14)21-18(24)10-13-5-3-8-16(9-13)25-2/h3-9,11-12H,10H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 400.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 15896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).