N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C20H26N4O2 — CID 121279740

IUPACN-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccccc1)C1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C20H26N4O2/c1-4-24(19(25)15-8-6-5-7-9-15)16-10-11-23(13-16)20(26)18-12-17(14(2)3)21-22-18/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,21,22)
InChIKeyODSSCNMDJSJFJP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279740) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279740
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1ccccc1)C1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C20H26N4O2/c1-4-24(19(25)15-8-6-5-7-9-15)16-10-11-23(13-16)20(26)18-12-17(14(2)3)21-22-18/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,21,22)
InChIKeyODSSCNMDJSJFJP-UHFFFAOYSA-N
XLogP2.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide 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 N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279740) is N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CCN(C(=O)c1ccccc1)C1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is ODSSCNMDJSJFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-24(19(25)15-8-6-5-7-9-15)16-10-11-23(13-16)20(26)18-12-17(14(2)3)21-22-18/h5-9,12,14,16H,4,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).