N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide

C26H23N5O4 — CID 10298819

IUPACN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn[nH]c1C1CC(NC(=O)c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C26H23N5O4/c32-24(14-17-7-3-6-16-5-1-2-10-22(16)17)29-23-15-27-30-25(23)19-11-20(12-19)28-26(33)18-8-4-9-21(13-18)31(34)35/h1-10,13,15,19-20H,11-12,14H2,(H,27,30)(H,28,33)(H,29,32)
InChIKeyPAWYWSIIYRFZQT-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.33
Rot. Bonds7

About N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide

N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide (PubChem CID 10298819) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide
PubChem CID10298819
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC NameN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn[nH]c1C1CC(NC(=O)c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C26H23N5O4/c32-24(14-17-7-3-6-16-5-1-2-10-22(16)17)29-23-15-27-30-25(23)19-11-20(12-19)28-26(33)18-8-4-9-21(13-18)31(34)35/h1-10,13,15,19-20H,11-12,14H2,(H,27,30)(H,28,33)(H,29,32)
InChIKeyPAWYWSIIYRFZQT-UHFFFAOYSA-N
XLogP4.33
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-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

2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
CID 8699845
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850510
3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76848987
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 78914172
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 110902363
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(1R,5S)-9-cyclopropyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-nitrobenzamide
CID 7402972
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide?
The IUPAC name of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide (CID 10298819) is N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide?
The canonical SMILES for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide is O=C(Cc1cccc2ccccc12)Nc1cn[nH]c1C1CC(NC(=O)c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide?
The InChIKey is PAWYWSIIYRFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c32-24(14-17-7-3-6-16-5-1-2-10-22(16)17)29-23-15-27-30-25(23)19-11-20(12-19)28-26(33)18-8-4-9-21(13-18)31(34)35/h1-10,13,15,19-20H,11-12,14H2,(H,27,30)(H,28,33)(H,29,32).
What are the key properties of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide?
N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide has a molecular weight of 469.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]-3-nitrobenzamide is sourced from PubChem (CID 10298819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).