N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C19H18BrN3O — CID 2747063

IUPACN-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(Br)cc3)cc2C)cc1
InChIInChI=1S/C19H18BrN3O/c1-13-3-5-15(6-4-13)12-23-14(2)11-18(22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyISWBJEGHXZRLFP-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.56
Rot. Bonds4

About N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 2747063) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID2747063
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(Br)cc3)cc2C)cc1
InChIInChI=1S/C19H18BrN3O/c1-13-3-5-15(6-4-13)12-23-14(2)11-18(22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyISWBJEGHXZRLFP-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 2747063) is N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)Nc3ccc(Br)cc3)cc2C)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is ISWBJEGHXZRLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-3-5-15(6-4-13)12-23-14(2)11-18(22-23)19(24)21-17-9-7-16(20)8-10-17/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2747063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).