3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide

C25H31N3O2 — CID 55960147

IUPAC3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H31N3O2/c1-28(25(29)17-16-21-13-8-9-15-24(21)30-2)18-10-4-7-14-22-19-23(27-26-22)20-11-5-3-6-12-20/h3,5-6,8-9,11-13,15,19H,4,7,10,14,16-18H2,1-2H3,(H,26,27)
InChIKeyNKRDMLQNABPYDR-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.89
Rot. Bonds11

About 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide

3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide (PubChem CID 55960147) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
PubChem CID55960147
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H31N3O2/c1-28(25(29)17-16-21-13-8-9-15-24(21)30-2)18-10-4-7-14-22-19-23(27-26-22)20-11-5-3-6-12-20/h3,5-6,8-9,11-13,15,19H,4,7,10,14,16-18H2,1-2H3,(H,26,27)
InChIKeyNKRDMLQNABPYDR-UHFFFAOYSA-N
XLogP4.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
CID 55863273
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-3-piperidin-4-ylbutanamide
CID 119737107
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide
CID 55961175

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide (CID 55960147) is 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide is COc1ccccc1CCC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide?
The InChIKey is NKRDMLQNABPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-28(25(29)17-16-21-13-8-9-15-24(21)30-2)18-10-4-7-14-22-19-23(27-26-22)20-11-5-3-6-12-20/h3,5-6,8-9,11-13,15,19H,4,7,10,14,16-18H2,1-2H3,(H,26,27).
What are the key properties of 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide?
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide is sourced from PubChem (CID 55960147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).