N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H14BrN3O — CID 41482979

IUPACN-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14BrN3O/c1-12-16(11-19-21(12)15-5-3-2-4-6-15)17(22)20-14-9-7-13(18)8-10-14/h2-11H,1H3,(H,20,22)
InChIKeyMMAYGUQDQNYWJJ-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.20
Rot. Bonds3

About N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 41482979) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID41482979
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14BrN3O/c1-12-16(11-19-21(12)15-5-3-2-4-6-15)17(22)20-14-9-7-13(18)8-10-14/h2-11H,1H3,(H,20,22)
InChIKeyMMAYGUQDQNYWJJ-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 41482979) is N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is MMAYGUQDQNYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-12-16(11-19-21(12)15-5-3-2-4-6-15)17(22)20-14-9-7-13(18)8-10-14/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 4.20, 3 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-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 41482979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).