5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

C19H22N4O3 — CID 137270504

IUPAC5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1cccc(C2CC(C(=O)N/N=C/c3ccccc3O)NN2)c1
InChIInChI=1S/C19H22N4O3/c1-2-26-15-8-5-7-13(10-15)16-11-17(22-21-16)19(25)23-20-12-14-6-3-4-9-18(14)24/h3-10,12,16-17,21-22,24H,2,11H2,1H3,(H,23,25)/b20-12+
InChIKeyAVKHJAZSDDPHSC-UDWIEESQSA-N
MW354.41 g/mol
LogP1.85
Rot. Bonds6

About 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (PubChem CID 137270504) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
PubChem CID137270504
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1cccc(C2CC(C(=O)N/N=C/c3ccccc3O)NN2)c1
InChIInChI=1S/C19H22N4O3/c1-2-26-15-8-5-7-13(10-15)16-11-17(22-21-16)19(25)23-20-12-14-6-3-4-9-18(14)24/h3-10,12,16-17,21-22,24H,2,11H2,1H3,(H,23,25)/b20-12+
InChIKeyAVKHJAZSDDPHSC-UDWIEESQSA-N
XLogP1.85
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270929
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 137270542
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 137257958
5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137270085
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 52963464
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (CID 137270504) is 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is CCOc1cccc(C2CC(C(=O)N/N=C/c3ccccc3O)NN2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is AVKHJAZSDDPHSC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-26-15-8-5-7-13(10-15)16-11-17(22-21-16)19(25)23-20-12-14-6-3-4-9-18(14)24/h3-10,12,16-17,21-22,24H,2,11H2,1H3,(H,23,25)/b20-12+.
What are the key properties of 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137270504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).