2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine

C14H25N3O2S — CID 56780379

IUPAC2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
SMILESCc1cnn(CC2CCCCN2CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H25N3O2S/c1-13-10-15-17(11-13)12-14-6-3-4-7-16(14)8-5-9-20(2,18)19/h10-11,14H,3-9,12H2,1-2H3
InChIKeyUPQBKXNQMKCXLP-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.48
Rot. Bonds6

About 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine

2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (PubChem CID 56780379) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
PubChem CID56780379
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
SMILESCc1cnn(CC2CCCCN2CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H25N3O2S/c1-13-10-15-17(11-13)12-14-6-3-4-7-16(14)8-5-9-20(2,18)19/h10-11,14H,3-9,12H2,1-2H3
InChIKeyUPQBKXNQMKCXLP-UHFFFAOYSA-N
XLogP1.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine 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

(3S,8aS)-2-[(1-ethylpyrazol-4-yl)methyl]-3-(2-methylsulfanylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 46953954
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 53623433
4-Methyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53626617
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 56780541
2,2-Dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71855029
2-[(4-Methylpyrazol-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 72141347
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75425359
1-(2-methylsulfonylethyl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 75427999
4-{[(3R,8AS)-3-[2-(Methylsulfanyl)ethyl]-hexahydro-1H-pyrrolo[1,2-A]pyrazin-2-YL]methyl}-1-ethylpyrazole
CID 92590136
8-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[3.5]nonane
CID 118741137

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine (CID 56780379) is 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine is Cc1cnn(CC2CCCCN2CCCS(C)(=O)=O)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine?
The InChIKey is UPQBKXNQMKCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-13-10-15-17(11-13)12-14-6-3-4-7-16(14)8-5-9-20(2,18)19/h10-11,14H,3-9,12H2,1-2H3.
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine?
2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine has a molecular weight of 299.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine is sourced from PubChem (CID 56780379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).