N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide

C28H33N7O2 — CID 55628035

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1-c1noc(CN2CCN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)n1
InChIInChI=1S/C28H33N7O2/c1-20-9-7-8-12-24(20)28-30-26(37-32-28)19-34-17-15-33(16-18-34)14-13-25(36)29-27-21(2)31-35(22(27)3)23-10-5-4-6-11-23/h4-12H,13-19H2,1-3H3,(H,29,36)
InChIKeyORGMUHZVUCPAHG-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.99
Rot. Bonds8

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 55628035) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
PubChem CID55628035
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1-c1noc(CN2CCN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)n1
InChIInChI=1S/C28H33N7O2/c1-20-9-7-8-12-24(20)28-30-26(37-32-28)19-34-17-15-33(16-18-34)14-13-25(36)29-27-21(2)31-35(22(27)3)23-10-5-4-6-11-23/h4-12H,13-19H2,1-3H3,(H,29,36)
InChIKeyORGMUHZVUCPAHG-UHFFFAOYSA-N
XLogP3.99
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
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methyl 4-[2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethoxy]benzoate
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3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (CID 55628035) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is Cc1ccccc1-c1noc(CN2CCN(CCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)n1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is ORGMUHZVUCPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-20-9-7-8-12-24(20)28-30-26(37-32-28)19-34-17-15-33(16-18-34)14-13-25(36)29-27-21(2)31-35(22(27)3)23-10-5-4-6-11-23/h4-12H,13-19H2,1-3H3,(H,29,36).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 499.62 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55628035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).