N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

C21H18BrN5O — CID 55947460

IUPACN-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C21H18BrN5O/c1-15-20(12-24-27(15)19-9-7-17(22)8-10-19)21(28)25-18-11-23-26(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyXUMILXVGWRULKG-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.44
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide

N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55947460) has the molecular formula C21H18BrN5O and a molecular weight of 436.31 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55947460
Molecular FormulaC21H18BrN5O
Molecular Weight436.31 g/mol
Exact Mass435.07
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C21H18BrN5O/c1-15-20(12-24-27(15)19-9-7-17(22)8-10-19)21(28)25-18-11-23-26(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyXUMILXVGWRULKG-UHFFFAOYSA-N
XLogP4.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
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1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
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1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
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1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide (CID 55947460) is N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XUMILXVGWRULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O/c1-15-20(12-24-27(15)19-9-7-17(22)8-10-19)21(28)25-18-11-23-26(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55947460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).