N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C17H13Br2N3O — CID 78884016

IUPACN-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2Br)nn1-c1ccccc1
InChIInChI=1S/C17H13Br2N3O/c1-11-9-16(21-22(11)13-5-3-2-4-6-13)17(23)20-15-8-7-12(18)10-14(15)19/h2-10H,1H3,(H,20,23)
InChIKeyGMXGCOKXDPFCJE-UHFFFAOYSA-N
MW435.12 g/mol
LogP4.96
Rot. Bonds3

About N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 78884016) has the molecular formula C17H13Br2N3O and a molecular weight of 435.12 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID78884016
Molecular FormulaC17H13Br2N3O
Molecular Weight435.12 g/mol
Exact Mass432.94
IUPAC NameN-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2Br)nn1-c1ccccc1
InChIInChI=1S/C17H13Br2N3O/c1-11-9-16(21-22(11)13-5-3-2-4-6-13)17(23)20-15-8-7-12(18)10-14(15)19/h2-10H,1H3,(H,20,23)
InChIKeyGMXGCOKXDPFCJE-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.12
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756561
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55757786
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 78884016) is N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2Br)nn1-c1ccccc1.
What is the InChIKey of N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is GMXGCOKXDPFCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N3O/c1-11-9-16(21-22(11)13-5-3-2-4-6-13)17(23)20-15-8-7-12(18)10-14(15)19/h2-10H,1H3,(H,20,23).
What are the key properties of N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 435.12 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 78884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).