N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C19H18BrN3O — CID 55604592

IUPACN-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-12-6-4-5-7-18(12)23-14(3)16(11-21-23)19(24)22-15-8-9-17(20)13(2)10-15/h4-11H,1-3H3,(H,22,24)
InChIKeyPDQJVTLLLJPDMS-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.81
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55604592) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55604592
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-12-6-4-5-7-18(12)23-14(3)16(11-21-23)19(24)22-15-8-9-17(20)13(2)10-15/h4-11H,1-3H3,(H,22,24)
InChIKeyPDQJVTLLLJPDMS-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18267919
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55887741
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 39397805
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38005588
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
CID 82528340

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55604592) is N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is PDQJVTLLLJPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-12-6-4-5-7-18(12)23-14(3)16(11-21-23)19(24)22-15-8-9-17(20)13(2)10-15/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55604592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).