3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide

C24H27ClN4O2 — CID 55961175

IUPAC3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H27ClN4O2/c1-29(23(30)17-26-24(31)19-11-8-12-20(25)15-19)14-7-3-6-13-21-16-22(28-27-21)18-9-4-2-5-10-18/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3,(H,26,31)(H,27,28)
InChIKeyRAQILPQJLFVPJH-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.33
Rot. Bonds10

About 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide (PubChem CID 55961175) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide
PubChem CID55961175
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H27ClN4O2/c1-29(23(30)17-26-24(31)19-11-8-12-20(25)15-19)14-7-3-6-13-21-16-22(28-27-21)18-9-4-2-5-10-18/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3,(H,26,31)(H,27,28)
InChIKeyRAQILPQJLFVPJH-UHFFFAOYSA-N
XLogP4.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.33
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

2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
CID 60571055
3,4-dichloro-N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 60518643
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 55953212
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
N,2-dimethyl-3-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide
CID 60549883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide (CID 55961175) is 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RAQILPQJLFVPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-29(23(30)17-26-24(31)19-11-8-12-20(25)15-19)14-7-3-6-13-21-16-22(28-27-21)18-9-4-2-5-10-18/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[methyl-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).