N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide

C19H17N5O5 — CID 135533808

IUPACN-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide
SMILESCOc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H17N5O5/c1-28-16-7-6-12(9-17(16)29-2)18-14(10-20-22-18)11-21-23-19(25)13-4-3-5-15(8-13)24(26)27/h3-11H,1-2H3,(H,20,22)(H,23,25)/b21-11-
InChIKeyAMKRVZMHUUDWTI-NHDPSOOVSA-N
MW395.38 g/mol
LogP2.77
Rot. Bonds7

About N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide

N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide (PubChem CID 135533808) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide
PubChem CID135533808
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide
SMILESCOc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H17N5O5/c1-28-16-7-6-12(9-17(16)29-2)18-14(10-20-22-18)11-21-23-19(25)13-4-3-5-15(8-13)24(26)27/h3-11H,1-2H3,(H,20,22)(H,23,25)/b21-11-
InChIKeyAMKRVZMHUUDWTI-NHDPSOOVSA-N
XLogP2.77
TPSA131.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide 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-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135735432
N-[(E)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135533806
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-4-(2-methylpropoxy)benzamide
CID 135647380
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
N-[(E)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-1-methylindole-3-carboxamide
CID 135621576
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 96884567
4-hydroxy-3-methoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135647372
N-[(Z)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 124544835
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide (CID 135533808) is N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide is COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide?
The InChIKey is AMKRVZMHUUDWTI-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-28-16-7-6-12(9-17(16)29-2)18-14(10-20-22-18)11-21-23-19(25)13-4-3-5-15(8-13)24(26)27/h3-11H,1-2H3,(H,20,22)(H,23,25)/b21-11-.
What are the key properties of N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide?
N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide has a molecular weight of 395.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 135533808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).