N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

C27H28N4O2 — CID 42691502

IUPACN-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H28N4O2/c32-27(28-13-4-14-31-15-17-33-18-16-31)22-11-9-21(10-12-22)25-19-26(30-29-25)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2,(H,28,32)(H,29,30)
InChIKeyZOPBYTIJWXTEBF-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.35
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 42691502) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
PubChem CID42691502
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H28N4O2/c32-27(28-13-4-14-31-15-17-33-18-16-31)22-11-9-21(10-12-22)25-19-26(30-29-25)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2,(H,28,32)(H,29,30)
InChIKeyZOPBYTIJWXTEBF-UHFFFAOYSA-N
XLogP4.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide 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

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 141362409
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (CID 42691502) is N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is ZOPBYTIJWXTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(28-13-4-14-31-15-17-33-18-16-31)22-11-9-21(10-12-22)25-19-26(30-29-25)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2,(H,28,32)(H,29,30).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 42691502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).