5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide

C26H24ClN5O2 — CID 137270085

IUPAC5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)C1CC(c2cccc(OCc3ccc(Cl)cc3)c2)NN1
InChIInChI=1S/C26H24ClN5O2/c27-20-10-8-17(9-11-20)16-34-21-5-3-4-18(12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-7-2-1-6-22(19)23/h1-12,14-15,24-25,28,30-31H,13,16H2,(H,32,33)/b29-15+
InChIKeyULHDZRGYIDGMAZ-WKULSOCRSA-N
MW473.96 g/mol
LogP4.46
Rot. Bonds7

About 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide

5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide (PubChem CID 137270085) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
PubChem CID137270085
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)C1CC(c2cccc(OCc3ccc(Cl)cc3)c2)NN1
InChIInChI=1S/C26H24ClN5O2/c27-20-10-8-17(9-11-20)16-34-21-5-3-4-18(12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-7-2-1-6-22(19)23/h1-12,14-15,24-25,28,30-31H,13,16H2,(H,32,33)/b29-15+
InChIKeyULHDZRGYIDGMAZ-WKULSOCRSA-N
XLogP4.46
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137265109
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
CID 137272186
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270929
N-[(E)-1H-indol-3-ylmethylideneamino]-5-(4-propan-2-yloxyphenyl)pyrazolidine-3-carboxamide
CID 137272189
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
5-(2-butoxyphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137263748
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide (CID 137270085) is 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)C1CC(c2cccc(OCc3ccc(Cl)cc3)c2)NN1.
What is the InChIKey of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is ULHDZRGYIDGMAZ-WKULSOCRSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c27-20-10-8-17(9-11-20)16-34-21-5-3-4-18(12-21)24-13-25(31-30-24)26(33)32-29-15-19-14-28-23-7-2-1-6-22(19)23/h1-12,14-15,24-25,28,30-31H,13,16H2,(H,32,33)/b29-15+.
What are the key properties of 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 4.46, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137270085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).