2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide

C17H24N4O2S — CID 122139751

IUPAC2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)n1ccc(NC(=O)N2CCCC2CC(O)c2cccs2)n1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-9-7-16(19-21)18-17(23)20-8-3-5-13(20)11-14(22)15-6-4-10-24-15/h4,6-7,9-10,12-14,22H,3,5,8,11H2,1-2H3,(H,18,19,23)
InChIKeyDJZQAAVTIITFKR-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide

2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 122139751) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID122139751
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)n1ccc(NC(=O)N2CCCC2CC(O)c2cccs2)n1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-9-7-16(19-21)18-17(23)20-8-3-5-13(20)11-14(22)15-6-4-10-24-15/h4,6-7,9-10,12-14,22H,3,5,8,11H2,1-2H3,(H,18,19,23)
InChIKeyDJZQAAVTIITFKR-UHFFFAOYSA-N
XLogP3.65
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 125140445
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-1-carboxamide
CID 124617012
(2S)-N-(1,3-dimethylpyrazol-4-yl)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 124621681
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
3-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018652
4-[[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022288
tert-butyl 2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carboxylate
CID 115755561
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
1-[(2S)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 124615927
[(2S)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 125140633
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-[3-(methylamino)-3-oxo-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 155950588
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
CID 136539460

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide (CID 122139751) is 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide is CC(C)n1ccc(NC(=O)N2CCCC2CC(O)c2cccs2)n1.
What is the InChIKey of 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is DJZQAAVTIITFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)21-9-7-16(19-21)18-17(23)20-8-3-5-13(20)11-14(22)15-6-4-10-24-15/h4,6-7,9-10,12-14,22H,3,5,8,11H2,1-2H3,(H,18,19,23).
What are the key properties of 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 122139751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).