1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid

C15H19N3O3S — CID 122118960

IUPAC1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12
InChIInChI=1S/C15H19N3O3S/c1-8-4-10(15(20)21)7-18(6-8)13(19)12-5-11-9(2)16-17(3)14(11)22-12/h5,8,10H,4,6-7H2,1-3H3,(H,20,21)
InChIKeyPPCPQNBSWLYQSR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.13
Rot. Bonds2

About 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118960) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118960
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12
InChIInChI=1S/C15H19N3O3S/c1-8-4-10(15(20)21)7-18(6-8)13(19)12-5-11-9(2)16-17(3)14(11)22-12/h5,8,10H,4,6-7H2,1-3H3,(H,20,21)
InChIKeyPPCPQNBSWLYQSR-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid 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

5-methyl-1-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118137
(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)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578757
6-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128069
1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117881
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003930
[1-(4-bromophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3771783
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816839
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117790

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122118960) is 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1nn(C)c2sc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12.
What is the InChIKey of 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is PPCPQNBSWLYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-8-4-10(15(20)21)7-18(6-8)13(19)12-5-11-9(2)16-17(3)14(11)22-12/h5,8,10H,4,6-7H2,1-3H3,(H,20,21).
What are the key properties of 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 321.40 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).