2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide

C18H15BrClN3O2 — CID 86968645

IUPAC2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H15BrClN3O2/c1-25-15-6-7-17(19)16(8-15)18(24)21-9-12-10-22-23(11-12)14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeyYSJLVENULFSHKY-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.23
Rot. Bonds5

About 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide

2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide (PubChem CID 86968645) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
PubChem CID86968645
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H15BrClN3O2/c1-25-15-6-7-17(19)16(8-15)18(24)21-9-12-10-22-23(11-12)14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeyYSJLVENULFSHKY-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
5-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylfuran-2-carboxamide
CID 86968268
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 86968543
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196274
1-benzyl-3-(4-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42034029
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide (CID 86968645) is 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide?
The InChIKey is YSJLVENULFSHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-25-15-6-7-17(19)16(8-15)18(24)21-9-12-10-22-23(11-12)14-4-2-13(20)3-5-14/h2-8,10-11H,9H2,1H3,(H,21,24).
What are the key properties of 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide?
2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide has a molecular weight of 420.69 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 86968645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).