N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide

C22H28N4O3 — CID 156591339

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCCOc1ccc(C2CC(C(=O)N/N=C(/C)c3ccc(OC)cc3)NN2)cc1
InChIInChI=1S/C22H28N4O3/c1-4-13-29-19-11-7-17(8-12-19)20-14-21(25-24-20)22(27)26-23-15(2)16-5-9-18(28-3)10-6-16/h5-12,20-21,24-25H,4,13-14H2,1-3H3,(H,26,27)/b23-15-
InChIKeyGHKCWSIGHAYGHK-HAHDFKILSA-N
MW396.49 g/mol
LogP2.93
Rot. Bonds8

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 156591339) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID156591339
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCCOc1ccc(C2CC(C(=O)N/N=C(/C)c3ccc(OC)cc3)NN2)cc1
InChIInChI=1S/C22H28N4O3/c1-4-13-29-19-11-7-17(8-12-19)20-14-21(25-24-20)22(27)26-23-15(2)16-5-9-18(28-3)10-6-16/h5-12,20-21,24-25H,4,13-14H2,1-3H3,(H,26,27)/b23-15-
InChIKeyGHKCWSIGHAYGHK-HAHDFKILSA-N
XLogP2.93
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 45053759
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide
CID 45046620
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide (CID 156591339) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide is CCCOc1ccc(C2CC(C(=O)N/N=C(/C)c3ccc(OC)cc3)NN2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is GHKCWSIGHAYGHK-HAHDFKILSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-13-29-19-11-7-17(8-12-19)20-14-21(25-24-20)22(27)26-23-15(2)16-5-9-18(28-3)10-6-16/h5-12,20-21,24-25H,4,13-14H2,1-3H3,(H,26,27)/b23-15-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(4-propoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 156591339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).