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

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Related Compounds

N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747053
1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 985879
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
3-methyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015294
3-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861281
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1014486
N-(3-{N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclobutanecarboxamide
CID 5431557
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-fluorobenzamide
CID 5432244
4-bromo-2,5-dimethyl-N-[(E)-1-[4-(propanoylamino)phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 5432306

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).