3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C14H23N3O3S — CID 47048221

IUPAC3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H23N3O3S/c1-11(2)17-13(7-9-15-17)16-14(18)8-10-21(19,20)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18)
InChIKeyGZXZOEKZZWNVIT-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.15
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 47048221) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID47048221
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H23N3O3S/c1-11(2)17-13(7-9-15-17)16-14(18)8-10-21(19,20)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18)
InChIKeyGZXZOEKZZWNVIT-UHFFFAOYSA-N
XLogP2.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
CID 43441242
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 81491148
methyl 1-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 62026166
3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
CID 86997629
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
CID 30184302

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 47048221) is 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is GZXZOEKZZWNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(2)17-13(7-9-15-17)16-14(18)8-10-21(19,20)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 313.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 47048221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).