1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide

C18H19N3O2S — CID 111442127

IUPAC1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cnn(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-18(23,16-8-5-9-24-16)13-19-17(22)15-10-20-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,23H,11,13H2,1H3,(H,19,22)
InChIKeyYKCLFFKCXFEYPS-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.63
Rot. Bonds6

About 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide

1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide (PubChem CID 111442127) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
PubChem CID111442127
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cnn(Cc2ccccc2)c1)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-18(23,16-8-5-9-24-16)13-19-17(22)15-10-20-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,23H,11,13H2,1H3,(H,19,22)
InChIKeyYKCLFFKCXFEYPS-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzylpyrazole-4-carbohydrazide
CID 83386286
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide (CID 111442127) is 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide is CC(O)(CNC(=O)c1cnn(Cc2ccccc2)c1)c1cccs1.
What is the InChIKey of 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is YKCLFFKCXFEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(23,16-8-5-9-24-16)13-19-17(22)15-10-20-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,23H,11,13H2,1H3,(H,19,22).
What are the key properties of 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111442127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).