[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

C20H25N3O2S — CID 24791647

IUPAC[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccccc2SC)C1
InChIInChI=1S/C20H25N3O2S/c1-4-23-17(12-14(2)21-23)20(25)22-11-7-8-15(13-22)19(24)16-9-5-6-10-18(16)26-3/h5-6,9-10,12,15H,4,7-8,11,13H2,1-3H3
InChIKeySUMRVKMMIHOPRV-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.67
Rot. Bonds5

About [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 24791647) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID24791647
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccccc2SC)C1
InChIInChI=1S/C20H25N3O2S/c1-4-23-17(12-14(2)21-23)20(25)22-11-7-8-15(13-22)19(24)16-9-5-6-10-18(16)26-3/h5-6,9-10,12,15H,4,7-8,11,13H2,1-3H3
InChIKeySUMRVKMMIHOPRV-UHFFFAOYSA-N
XLogP3.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)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

2-[4-(1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24810973
2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24812461
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 129226291
1-{1-Methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carbonyl}-4-phenylpiperazine
CID 16017072
N-butyl-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017082
3-[(3,5-Dimethylpiperidin-1-yl)carbonyl]-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole
CID 22517064
N-(4-Fluorophenyl)-N,1-dimethyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 22517156
1-methyl-N-[3-(3-methylpiperidino)propyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide
CID 22517157
1-Methyl-N-[3-(piperidin-1-YL)propyl]-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 22517177
(3,5-Dimethyl-1-piperidinyl)(1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 22519931
1-methyl-3-(piperidinocarbonyl)-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione
CID 22519936
Ethyl 4-{1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carbonyl}piperazine-1-carboxylate
CID 24791876

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone (CID 24791647) is [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is CCn1nc(C)cc1C(=O)N1CCCC(C(=O)c2ccccc2SC)C1.
What is the InChIKey of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is SUMRVKMMIHOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-23-17(12-14(2)21-23)20(25)22-11-7-8-15(13-22)19(24)16-9-5-6-10-18(16)26-3/h5-6,9-10,12,15H,4,7-8,11,13H2,1-3H3.
What are the key properties of [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone?
[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 371.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24791647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).