3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide

C12H21N3O2S — CID 114163305

IUPAC3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)CSC)n(C)n1
InChIInChI=1S/C12H21N3O2S/c1-5-9-6-10(15(3)14-9)11(16)13-7-12(2,17)8-18-4/h6,17H,5,7-8H2,1-4H3,(H,13,16)
InChIKeyXBVSMIHFDSSQGD-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.83
Rot. Bonds6

About 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide

3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 114163305) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
PubChem CID114163305
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)CSC)n(C)n1
InChIInChI=1S/C12H21N3O2S/c1-5-9-6-10(15(3)14-9)11(16)13-7-12(2,17)8-18-4/h6,17H,5,7-8H2,1-4H3,(H,13,16)
InChIKeyXBVSMIHFDSSQGD-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide 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

N-(4-bromo-2,2-dimethylbutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106143809
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560576
4-bromo-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1-methylpyrrole-2-carboxamide
CID 96565339
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103711873
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide (CID 114163305) is 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC(C)(O)CSC)n(C)n1.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XBVSMIHFDSSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-9-6-10(15(3)14-9)11(16)13-7-12(2,17)8-18-4/h6,17H,5,7-8H2,1-4H3,(H,13,16).
What are the key properties of 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide?
3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114163305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).