4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

C25H33N5O — CID 55760895

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCCN3CCN(c4cccc(C)c4)CC3)cc2)CC1
InChIInChI=1S/C25H33N5O/c1-20-5-3-6-24(19-20)29-17-15-28(16-18-29)13-4-12-26-25(31)22-7-9-23(10-8-22)30-14-11-21(2)27-30/h3,5-10,19H,4,11-18H2,1-2H3,(H,26,31)
InChIKeyMZNHHBRKWIUTQA-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.52
Rot. Bonds7

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 55760895) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID55760895
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCCN3CCN(c4cccc(C)c4)CC3)cc2)CC1
InChIInChI=1S/C25H33N5O/c1-20-5-3-6-24(19-20)29-17-15-28(16-18-29)13-4-12-26-25(31)22-7-9-23(10-8-22)30-14-11-21(2)27-30/h3,5-10,19H,4,11-18H2,1-2H3,(H,26,31)
InChIKeyMZNHHBRKWIUTQA-UHFFFAOYSA-N
XLogP3.52
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-(butan-2-ylsulfamoyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624611
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010293
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide (CID 55760895) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is CC1=NN(c2ccc(C(=O)NCCCN3CCN(c4cccc(C)c4)CC3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is MZNHHBRKWIUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-20-5-3-6-24(19-20)29-17-15-28(16-18-29)13-4-12-26-25(31)22-7-9-23(10-8-22)30-14-11-21(2)27-30/h3,5-10,19H,4,11-18H2,1-2H3,(H,26,31).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 55760895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).