(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H24N4OS — CID 95286876

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc12
InChIInChI=1S/C17H24N4OS/c1-11-12-10-15(23-17(12)20(3)18-11)16(22)21-9-5-7-14(21)13-6-4-8-19(13)2/h10,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyZQAUMWVNRNFPPY-UONOGXRCSA-N
MW332.47 g/mol
LogP2.64
Rot. Bonds2

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95286876) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95286876
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc12
InChIInChI=1S/C17H24N4OS/c1-11-12-10-15(23-17(12)20(3)18-11)16(22)21-9-5-7-14(21)13-6-4-8-19(13)2/h10,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyZQAUMWVNRNFPPY-UONOGXRCSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
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(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
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CID 136546964
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CID 119471958
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CID 119652255
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216993
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95286876) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1nn(C)c2sc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc12.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZQAUMWVNRNFPPY-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-12-10-15(23-17(12)20(3)18-11)16(22)21-9-5-7-14(21)13-6-4-8-19(13)2/h10,13-14H,4-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95286876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).