4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide

C26H25N3O2 — CID 46091667

IUPAC4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCCCc4ccccc4)cc3)[nH]n2)c1
InChIInChI=1S/C26H25N3O2/c1-31-23-11-5-10-22(17-23)25-18-24(28-29-25)20-12-14-21(15-13-20)26(30)27-16-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-15,17-18H,6,9,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyVRHLITRLDXGSJO-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.11
Rot. Bonds8

About 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide (PubChem CID 46091667) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
PubChem CID46091667
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCCCc4ccccc4)cc3)[nH]n2)c1
InChIInChI=1S/C26H25N3O2/c1-31-23-11-5-10-22(17-23)25-18-24(28-29-25)20-12-14-21(15-13-20)26(30)27-16-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-15,17-18H,6,9,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyVRHLITRLDXGSJO-UHFFFAOYSA-N
XLogP5.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]-N-(4-phenylbutyl)benzamide
CID 46092192
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 135138513
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-[(4-methoxyphenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091627
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide (CID 46091667) is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)NCCCc4ccccc4)cc3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The InChIKey is VRHLITRLDXGSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-23-11-5-10-22(17-23)25-18-24(28-29-25)20-12-14-21(15-13-20)26(30)27-16-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-15,17-18H,6,9,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 46091667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).