1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone

C22H21N3OS — CID 8863612

IUPAC1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H21N3OS/c26-21(25-14-13-19(24-25)17-8-3-1-4-9-17)16-23-22(20-12-7-15-27-20)18-10-5-2-6-11-18/h1-12,15,22-23H,13-14,16H2/t22-/m0/s1
InChIKeyCLUGQYRJTYPVSD-QFIPXVFZSA-N
MW375.50 g/mol
LogP4.06
Rot. Bonds6

About 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone (PubChem CID 8863612) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone
PubChem CID8863612
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H21N3OS/c26-21(25-14-13-19(24-25)17-8-3-1-4-9-17)16-23-22(20-12-7-15-27-20)18-10-5-2-6-11-18/h1-12,15,22-23H,13-14,16H2/t22-/m0/s1
InChIKeyCLUGQYRJTYPVSD-QFIPXVFZSA-N
XLogP4.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone 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

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8598455
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
CID 97005373
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
CID 97005374
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-thiophen-2-ylacetate
CID 7799391
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
2-[4-[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8863950
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906651
1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone
CID 9051465
1-(2,3-dihydroindol-1-yl)-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]ethanone
CID 46566924
N-butyl-2-[4-[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8865534

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone?
The IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone (CID 8863612) is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone is O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone?
The InChIKey is CLUGQYRJTYPVSD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-21(25-14-13-19(24-25)17-8-3-1-4-9-17)16-23-22(20-12-7-15-27-20)18-10-5-2-6-11-18/h1-12,15,22-23H,13-14,16H2/t22-/m0/s1.
What are the key properties of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone?
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone has a molecular weight of 375.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone is sourced from PubChem (CID 8863612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).