N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide

C35H49N5O3 — CID 3725202

IUPACN-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1
InChIInChI=1S/C35H49N5O3/c1-3-5-6-7-8-9-10-11-12-13-17-20-33(41)36-27-34(42)38-37-26-30-28-40(31-18-15-14-16-19-31)39-35(30)29-21-23-32(24-22-29)43-25-4-2/h14-16,18-19,21-24,26,28H,3-13,17,20,25,27H2,1-2H3,(H,36,41)(H,38,42)
InChIKeyJQYXWIKRUHKCTN-UHFFFAOYSA-N
MW587.81 g/mol
LogP7.60
Rot. Bonds21

About N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide

N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide (PubChem CID 3725202) has the molecular formula C35H49N5O3 and a molecular weight of 587.81 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
PubChem CID3725202
Molecular FormulaC35H49N5O3
Molecular Weight587.81 g/mol
Exact Mass587.38
IUPAC NameN-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1
InChIInChI=1S/C35H49N5O3/c1-3-5-6-7-8-9-10-11-12-13-17-20-33(41)36-27-34(42)38-37-26-30-28-40(31-18-15-14-16-19-31)39-35(30)29-21-23-32(24-22-29)43-25-4-2/h14-16,18-19,21-24,26,28H,3-13,17,20,25,27H2,1-2H3,(H,36,41)(H,38,42)
InChIKeyJQYXWIKRUHKCTN-UHFFFAOYSA-N
XLogP7.60
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.81
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6026582
4-methyl-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
CID 6271933
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
N-[2-[(2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 124541152
2-iodo-N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
CID 4657815
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
2-(4-ethylphenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4123323
2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 6309317
2-(3-chlorophenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4276530
1-ethyl-3-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea
CID 4064501
3-methyl-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6249243
N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 6028564

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide?
The IUPAC name of N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide (CID 3725202) is N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide.
What is the SMILES notation for N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide?
The canonical SMILES for N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide?
The InChIKey is JQYXWIKRUHKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N5O3/c1-3-5-6-7-8-9-10-11-12-13-17-20-33(41)36-27-34(42)38-37-26-30-28-40(31-18-15-14-16-19-31)39-35(30)29-21-23-32(24-22-29)43-25-4-2/h14-16,18-19,21-24,26,28H,3-13,17,20,25,27H2,1-2H3,(H,36,41)(H,38,42).
What are the key properties of N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide?
N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide has a molecular weight of 587.81 g/mol, XLogP of 7.60, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide is sourced from PubChem (CID 3725202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).