[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

C21H25N3OS — CID 2003930

IUPAC[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)sc32)c1
InChIInChI=1S/C21H25N3OS/c1-13-6-5-7-17(9-13)24-21-18(16(4)22-24)10-19(26-21)20(25)23-11-14(2)8-15(3)12-23/h5-7,9-10,14-15H,8,11-12H2,1-4H3/t14-,15+
InChIKeyPHAMWWNIZCOAJS-GASCZTMLSA-N
MW367.52 g/mol
LogP4.82
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 2003930) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID2003930
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(C)c3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)sc32)c1
InChIInChI=1S/C21H25N3OS/c1-13-6-5-7-17(9-13)24-21-18(16(4)22-24)10-19(26-21)20(25)23-11-14(2)8-15(3)12-23/h5-7,9-10,14-15H,8,11-12H2,1-4H3/t14-,15+
InChIKeyPHAMWWNIZCOAJS-GASCZTMLSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[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

[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 2018606
[1-(4-bromophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3771783
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 3825563
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 4083726
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577410
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 166287490
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118960

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone (CID 2003930) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is Cc1cccc(-n2nc(C)c3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)sc32)c1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is PHAMWWNIZCOAJS-GASCZTMLSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-13-6-5-7-17(9-13)24-21-18(16(4)22-24)10-19(26-21)20(25)23-11-14(2)8-15(3)12-23/h5-7,9-10,14-15H,8,11-12H2,1-4H3/t14-,15+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone?
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 367.52 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 2003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).