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

C20H23N3OS — CID 86951494

IUPAC[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1cc(C)cc(C2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)c1
InChIInChI=1S/C20H23N3OS/c1-12-8-13(2)10-15(9-12)17-6-5-7-23(17)19(24)18-11-16-14(3)21-22(4)20(16)25-18/h8-11,17H,5-7H2,1-4H3
InChIKeyWTSNOJCAKSEBCV-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.54
Rot. Bonds2

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

[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 86951494) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID86951494
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1cc(C)cc(C2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)c1
InChIInChI=1S/C20H23N3OS/c1-12-8-13(2)10-15(9-12)17-6-5-7-23(17)19(24)18-11-16-14(3)21-22(4)20(16)25-18/h8-11,17H,5-7H2,1-4H3
InChIKeyWTSNOJCAKSEBCV-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone 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

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97313694
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 136546964
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
[2-(3-chlorophenyl)piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 120803531
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879462
2-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195842
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (CID 86951494) is [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1cc(C)cc(C2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is WTSNOJCAKSEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12-8-13(2)10-15(9-12)17-6-5-7-23(17)19(24)18-11-16-14(3)21-22(4)20(16)25-18/h8-11,17H,5-7H2,1-4H3.
What are the key properties of [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 353.49 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 86951494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).