N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide

C18H20N4O2 — CID 178189290

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC(c3ccccc3)NN2)cc1
InChIInChI=1S/C18H20N4O2/c1-24-15-9-7-13(8-10-15)12-19-22-18(23)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-10,12,16-17,20-21H,11H2,1H3,(H,22,23)/b19-12+
InChIKeyVBJNTYGWRSCYTB-XDHOZWIPSA-N
MW324.38 g/mol
LogP1.75
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 178189290) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
PubChem CID178189290
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC(c3ccccc3)NN2)cc1
InChIInChI=1S/C18H20N4O2/c1-24-15-9-7-13(8-10-15)12-19-22-18(23)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-10,12,16-17,20-21H,11H2,1H3,(H,22,23)/b19-12+
InChIKeyVBJNTYGWRSCYTB-XDHOZWIPSA-N
XLogP1.75
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide
CID 45046620
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-[(E)-1H-indol-3-ylmethylideneamino]-5-(4-propan-2-yloxyphenyl)pyrazolidine-3-carboxamide
CID 137272189
ethyl 4-[5-[(E)-[(5-phenylpyrazolidine-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 133269048
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
5-[4-(2-methylpropyl)phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 134126623
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide (CID 178189290) is N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide is COc1ccc(/C=N/NC(=O)C2CC(c3ccccc3)NN2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is VBJNTYGWRSCYTB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-9-7-13(8-10-15)12-19-22-18(23)17-11-16(20-21-17)14-5-3-2-4-6-14/h2-10,12,16-17,20-21H,11H2,1H3,(H,22,23)/b19-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 178189290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).