3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

C17H23N3OS — CID 95978340

IUPAC3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccsc1
InChIInChI=1S/C17H23N3OS/c1-12-17(13(2)19(3)18-12)15-5-4-9-20(15)16(21)7-6-14-8-10-22-11-14/h8,10-11,15H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyJNWRXPGDNPJQPL-HNNXBMFYSA-N
MW317.46 g/mol
LogP3.39
Rot. Bonds4

About 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95978340) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID95978340
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccsc1
InChIInChI=1S/C17H23N3OS/c1-12-17(13(2)19(3)18-12)15-5-4-9-20(15)16(21)7-6-14-8-10-22-11-14/h8,10-11,15H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyJNWRXPGDNPJQPL-HNNXBMFYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one 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

1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94117715
N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780721
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
3-(2,3-difluorophenyl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978508
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735674
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 40820976
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99134606
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
1,3-thiazol-4-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735848

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one (CID 95978340) is 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccsc1.
What is the InChIKey of 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is JNWRXPGDNPJQPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-17(13(2)19(3)18-12)15-5-4-9-20(15)16(21)7-6-14-8-10-22-11-14/h8,10-11,15H,4-7,9H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 317.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).