N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H18BrN3O2 — CID 1340269

IUPACN-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
InChIKeyGMCAPAIURGWSFF-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.56
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1340269) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1340269
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H18BrN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
InChIKeyGMCAPAIURGWSFF-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
4-[(3-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997073
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
4-[(4-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997311
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
3-(4-methoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707852
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707853

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1340269) is N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GMCAPAIURGWSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28).
What are the key properties of N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1340269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).