ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

C12H19N3O5S — CID 60911817

IUPACethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-6-4-3-5-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,14)
InChIKeyNBFDMXYCQDATIB-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.12
Rot. Bonds5

About ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate (PubChem CID 60911817) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
PubChem CID60911817
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Nameethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-6-4-3-5-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,14)
InChIKeyNBFDMXYCQDATIB-UHFFFAOYSA-N
XLogP0.12
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate 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

(2S,3S)-1-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105369
ethyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 60910759
ethyl 5-(2-methylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 119969798
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 63165064
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62469033
ethyl 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrazole-4-carboxylate
CID 60911934
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-(2-methylthiomorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 115611985
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-[[(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]sulfonyl]-1H-pyrazole-4-carboxylate
CID 73349583
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate (CID 60911817) is ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate?
The InChIKey is NBFDMXYCQDATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-6-4-3-5-9(15)8-16/h7,9,16H,2-6,8H2,1H3,(H,13,14).
What are the key properties of ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate?
ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60911817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).