4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide

C19H16BrN3O2 — CID 24939286

IUPAC4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)CBr)c(C(=O)Nc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H16BrN3O2/c1-13-17(16(24)12-20)18(19(25)21-14-8-4-2-5-9-14)22-23(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,25)
InChIKeyMUIMJLNASYOVTN-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.01
Rot. Bonds5

About 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide

4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 24939286) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
PubChem CID24939286
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)CBr)c(C(=O)Nc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H16BrN3O2/c1-13-17(16(24)12-20)18(19(25)21-14-8-4-2-5-9-14)22-23(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,25)
InChIKeyMUIMJLNASYOVTN-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[3-(2,2-dimethylpropanoylamino)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55532044
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide (CID 24939286) is 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide is Cc1c(C(=O)CBr)c(C(=O)Nc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is MUIMJLNASYOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-13-17(16(24)12-20)18(19(25)21-14-8-4-2-5-9-14)22-23(13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,25).
What are the key properties of 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide?
4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 24939286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).