3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

C26H41N5O — CID 55620817

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C26H41N5O/c1-20(2)18-31-22(4)24(21(3)28-31)12-13-26(32)27-14-9-15-30-17-16-29(5)19-25(30)23-10-7-6-8-11-23/h6-8,10-11,20,25H,9,12-19H2,1-5H3,(H,27,32)
InChIKeyIWSPTWGNYNTCFH-UHFFFAOYSA-N
MW439.65 g/mol
LogP3.58
Rot. Bonds10

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55620817) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID55620817
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C26H41N5O/c1-20(2)18-31-22(4)24(21(3)28-31)12-13-26(32)27-14-9-15-30-17-16-29(5)19-25(30)23-10-7-6-8-11-23/h6-8,10-11,20,25H,9,12-19H2,1-5H3,(H,27,32)
InChIKeyIWSPTWGNYNTCFH-UHFFFAOYSA-N
XLogP3.58
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 53.58
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

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51926980
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550127
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(N-methylanilino)ethyl]propanamide
CID 31688293
3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620679
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-chloro-N-[2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]ethyl]benzamide
CID 39112466
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245670
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide (CID 55620817) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCCN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is IWSPTWGNYNTCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O/c1-20(2)18-31-22(4)24(21(3)28-31)12-13-26(32)27-14-9-15-30-17-16-29(5)19-25(30)23-10-7-6-8-11-23/h6-8,10-11,20,25H,9,12-19H2,1-5H3,(H,27,32).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 439.65 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55620817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).