1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide

C17H13BrClN3O3 — CID 19274639

IUPAC1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C17H13BrClN3O3/c18-14-8-11(19)4-5-16(14)25-10-22-7-6-15(21-22)17(24)20-12-2-1-3-13(23)9-12/h1-9,23H,10H2,(H,20,24)
InChIKeyLHQYEIAPVTWELR-UHFFFAOYSA-N
MW422.67 g/mol
LogP4.29
Rot. Bonds5

About 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide

1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide (PubChem CID 19274639) has the molecular formula C17H13BrClN3O3 and a molecular weight of 422.67 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
PubChem CID19274639
Molecular FormulaC17H13BrClN3O3
Molecular Weight422.67 g/mol
Exact Mass420.98
IUPAC Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C17H13BrClN3O3/c18-14-8-11(19)4-5-16(14)25-10-22-7-6-15(21-22)17(24)20-12-2-1-3-13(23)9-12/h1-9,23H,10H2,(H,20,24)
InChIKeyLHQYEIAPVTWELR-UHFFFAOYSA-N
XLogP4.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide 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

1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19274382
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19274429
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19274404
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19274630
N-(3-hydroxyphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19279547
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274518
N-(3-hydroxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273626
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19274625
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 4777025

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide (CID 19274639) is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide is O=C(Nc1cccc(O)c1)c1ccn(COc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide?
The InChIKey is LHQYEIAPVTWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O3/c18-14-8-11(19)4-5-16(14)25-10-22-7-6-15(21-22)17(24)20-12-2-1-3-13(23)9-12/h1-9,23H,10H2,(H,20,24).
What are the key properties of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide?
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide has a molecular weight of 422.67 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19274639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).