2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

C20H27N5O2 — CID 74240827

IUPAC2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCCCn1nc(C)c(NC(=O)N2CCNC(=O)C2Cc2ccccc2)c1C
InChIInChI=1S/C20H27N5O2/c1-4-11-25-15(3)18(14(2)23-25)22-20(27)24-12-10-21-19(26)17(24)13-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyMABBZGJBCHLBAK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.48
Rot. Bonds5

About 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 74240827) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
PubChem CID74240827
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCCCn1nc(C)c(NC(=O)N2CCNC(=O)C2Cc2ccccc2)c1C
InChIInChI=1S/C20H27N5O2/c1-4-11-25-15(3)18(14(2)23-25)22-20(27)24-12-10-21-19(26)17(24)13-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyMABBZGJBCHLBAK-UHFFFAOYSA-N
XLogP2.48
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (CID 74240827) is 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is CCCn1nc(C)c(NC(=O)N2CCNC(=O)C2Cc2ccccc2)c1C.
What is the InChIKey of 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is MABBZGJBCHLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-11-25-15(3)18(14(2)23-25)22-20(27)24-12-10-21-19(26)17(24)13-16-8-6-5-7-9-16/h5-9,17H,4,10-13H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 74240827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).