N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide

C21H21N3OS — CID 22176895

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
SMILESCSc1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C21H21N3OS/c1-26-19-5-3-2-4-17(19)15-8-6-14(7-9-15)12-21(25)22-20-13-18(23-24-20)16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H2,22,23,24,25)
InChIKeyKMPLVHBHMAEWAT-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.86
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide (PubChem CID 22176895) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
PubChem CID22176895
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide
SMILESCSc1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C21H21N3OS/c1-26-19-5-3-2-4-17(19)15-8-6-14(7-9-15)12-21(25)22-20-13-18(23-24-20)16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H2,22,23,24,25)
InChIKeyKMPLVHBHMAEWAT-UHFFFAOYSA-N
XLogP4.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]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-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
4-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]benzoic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]acetamide
CID 160580866
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)phenyl]acetamide
CID 10180567
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 22177019
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 22176952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-hydroxydibenzofuran-3-yl)acetamide
CID 22176723
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 22176888

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide (CID 22176895) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide is CSc1ccccc1-c1ccc(CC(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide?
The InChIKey is KMPLVHBHMAEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-26-19-5-3-2-4-17(19)15-8-6-14(7-9-15)12-21(25)22-20-13-18(23-24-20)16-10-11-16/h2-9,13,16H,10-12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methylsulfanylphenyl)phenyl]acetamide is sourced from PubChem (CID 22176895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).