3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide

C23H26N6O3 — CID 53357470

IUPAC3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C23H26N6O3/c30-23(22-17-21(25-26-22)18-7-9-20(10-8-18)29(31)32)24-11-4-12-27-13-15-28(16-14-27)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2,(H,24,30)(H,25,26)
InChIKeyYUOLESGAMDOQTL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.93
Rot. Bonds8

About 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide

3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 53357470) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID53357470
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1
InChIInChI=1S/C23H26N6O3/c30-23(22-17-21(25-26-22)18-7-9-20(10-8-18)29(31)32)24-11-4-12-27-13-15-28(16-14-27)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2,(H,24,30)(H,25,26)
InChIKeyYUOLESGAMDOQTL-UHFFFAOYSA-N
XLogP2.93
TPSA107.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide 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

2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 42224976
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6626200
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 41277702
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638705
4-(4-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11516334
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46275255
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-nitrophenyl)-1H-indole-7-carboxamide
CID 19972551
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide (CID 53357470) is 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1.
What is the InChIKey of 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YUOLESGAMDOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-23(22-17-21(25-26-22)18-7-9-20(10-8-18)29(31)32)24-11-4-12-27-13-15-28(16-14-27)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2,(H,24,30)(H,25,26).
What are the key properties of 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide?
3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53357470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).