2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide

C16H15BrClN5O2 — CID 19517324

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)cc1Br
InChIInChI=1S/C16H15BrClN5O2/c1-11-15(17)8-22(21-11)9-16(24)20-13-6-19-23(7-13)10-25-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,20,24)
InChIKeyJDYFTGXPRMJCKZ-UHFFFAOYSA-N
MW424.69 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide (PubChem CID 19517324) has the molecular formula C16H15BrClN5O2 and a molecular weight of 424.69 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
PubChem CID19517324
Molecular FormulaC16H15BrClN5O2
Molecular Weight424.69 g/mol
Exact Mass423.01
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)cc1Br
InChIInChI=1S/C16H15BrClN5O2/c1-11-15(17)8-22(21-11)9-16(24)20-13-6-19-23(7-13)10-25-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,20,24)
InChIKeyJDYFTGXPRMJCKZ-UHFFFAOYSA-N
XLogP3.48
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide 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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19561582
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
CID 19523514
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539977
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19551897
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408561
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19566294
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262105
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558234
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide (CID 19517324) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide is Cc1nn(CC(=O)Nc2cnn(COc3cccc(Cl)c3)c2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide?
The InChIKey is JDYFTGXPRMJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN5O2/c1-11-15(17)8-22(21-11)9-16(24)20-13-6-19-23(7-13)10-25-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,20,24).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide has a molecular weight of 424.69 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19517324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).