5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide

C17H23N3O2S — CID 111436240

IUPAC5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)(O)CSC)cnn1-c1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-4-15-14(16(21)18-11-17(2,22)12-23-3)10-19-20(15)13-8-6-5-7-9-13/h5-10,22H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyYOFVTMMRJDBZPW-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.28
Rot. Bonds7

About 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide

5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 111436240) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID111436240
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)(O)CSC)cnn1-c1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-4-15-14(16(21)18-11-17(2,22)12-23-3)10-19-20(15)13-8-6-5-7-9-13/h5-10,22H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyYOFVTMMRJDBZPW-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
CID 111102770
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436282
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
N-tert-butyl-5-(chloromethyl)-1-phenylpyrazole-4-carboxamide
CID 139497527
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide (CID 111436240) is 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(C)(O)CSC)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YOFVTMMRJDBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-15-14(16(21)18-11-17(2,22)12-23-3)10-19-20(15)13-8-6-5-7-9-13/h5-10,22H,4,11-12H2,1-3H3,(H,18,21).
What are the key properties of 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111436240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).