N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide

C20H24N4OS — CID 22511697

IUPACN-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H24N4OS/c1-2-3-11-21-19(25)16-26-15-17-14-22-24(18-9-5-4-6-10-18)20(17)23-12-7-8-13-23/h4-10,12-14H,2-3,11,15-16H2,1H3,(H,21,25)
InChIKeyIJAZKXMEEOKNET-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.81
Rot. Bonds9

About N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide

N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide (PubChem CID 22511697) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
PubChem CID22511697
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
SMILESCCCCNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H24N4OS/c1-2-3-11-21-19(25)16-26-15-17-14-22-24(18-9-5-4-6-10-18)20(17)23-12-7-8-13-23/h4-10,12-14H,2-3,11,15-16H2,1H3,(H,21,25)
InChIKeyIJAZKXMEEOKNET-UHFFFAOYSA-N
XLogP3.81
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}thio)-N-(thien-2-ylmethyl)acetamide
CID 3237996
N-(2-cyclohex-1-en-1-ylethyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3242249
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
CID 2816029
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2816022
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2816031
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}thio)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3239021
N-(2-morpholin-4-ylethyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}thio)acetamide
CID 3240440
({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}thio)acetic acid
CID 3244520
1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3410204
N-[(4-Methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}piperidine-3-carboxamide
CID 3413456
N-(4-acetamidophenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
CID 4063703
N-methyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide
CID 4063705

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide (CID 22511697) is N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide is CCCCNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is IJAZKXMEEOKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-3-11-21-19(25)16-26-15-17-14-22-24(18-9-5-4-6-10-18)20(17)23-12-7-8-13-23/h4-10,12-14H,2-3,11,15-16H2,1H3,(H,21,25).
What are the key properties of N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide?
N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 368.51 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 22511697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).