5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide

C27H26ClN5O2 — CID 137272186

IUPAC5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)C1CC(c2ccc(OCc3ccc(Cl)cc3)cc2)NN1
InChIInChI=1S/C27H26ClN5O2/c1-17-23(22-4-2-3-5-24(22)30-17)15-29-33-27(34)26-14-25(31-32-26)19-8-12-21(13-9-19)35-16-18-6-10-20(28)11-7-18/h2-13,15,25-26,30-32H,14,16H2,1H3,(H,33,34)/b29-15+
InChIKeySUNGJJYTZZDGAD-WKULSOCRSA-N
MW487.99 g/mol
LogP4.77
Rot. Bonds7

About 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide

5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide (PubChem CID 137272186) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
PubChem CID137272186
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)C1CC(c2ccc(OCc3ccc(Cl)cc3)cc2)NN1
InChIInChI=1S/C27H26ClN5O2/c1-17-23(22-4-2-3-5-24(22)30-17)15-29-33-27(34)26-14-25(31-32-26)19-8-12-21(13-9-19)35-16-18-6-10-20(28)11-7-18/h2-13,15,25-26,30-32H,14,16H2,1H3,(H,33,34)/b29-15+
InChIKeySUNGJJYTZZDGAD-WKULSOCRSA-N
XLogP4.77
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.77
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-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137270085
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
5-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137265109
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide
CID 137265679
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
CID 137295628
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
N-[(E)-1H-indol-3-ylmethylideneamino]-5-(4-propan-2-yloxyphenyl)pyrazolidine-3-carboxamide
CID 137272189
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
(1S)-2,2-dibromo-1-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]cyclopropane-1-carboxamide
CID 135682606

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide (CID 137272186) is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)C1CC(c2ccc(OCc3ccc(Cl)cc3)cc2)NN1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is SUNGJJYTZZDGAD-WKULSOCRSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-17-23(22-4-2-3-5-24(22)30-17)15-29-33-27(34)26-14-25(31-32-26)19-8-12-21(13-9-19)35-16-18-6-10-20(28)11-7-18/h2-13,15,25-26,30-32H,14,16H2,1H3,(H,33,34)/b29-15+.
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide?
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 4.77, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137272186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).