2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide

C21H19Cl2N3O2 — CID 55861932

IUPAC2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H19Cl2N3O2/c22-14-9-10-17(23)20(11-14)28-13-21(27)24-12-18-16-7-4-8-19(16)26(25-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2,(H,24,27)
InChIKeyMPCYEBYYBUIDGF-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.36
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide

2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide (PubChem CID 55861932) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
PubChem CID55861932
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H19Cl2N3O2/c22-14-9-10-17(23)20(11-14)28-13-21(27)24-12-18-16-7-4-8-19(16)26(25-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2,(H,24,27)
InChIKeyMPCYEBYYBUIDGF-UHFFFAOYSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55891781
7-chloro-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55863328
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiomorpholine-4-carboxamide
CID 71938738
6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 60526390
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
CID 120986692
2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
N-[2-(4-chlorophenoxy)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46680579
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide
CID 55892038
2-(2,5-dichlorophenoxy)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110310958
N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55862319
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55862192

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide (CID 55861932) is 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The InChIKey is MPCYEBYYBUIDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-14-9-10-17(23)20(11-14)28-13-21(27)24-12-18-16-7-4-8-19(16)26(25-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2,(H,24,27).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide has a molecular weight of 416.31 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 55861932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).