2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide

C17H23N3O3S — CID 71929855

IUPAC2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O3S/c21-17(9-12-3-1-2-4-12)18-16-10-15(13-5-6-13)19-20(16)14-7-8-24(22,23)11-14/h1,3,10,12-14H,2,4-9,11H2,(H,18,21)
InChIKeyZSRYDTLUKLYWHU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.41
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide

2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide (PubChem CID 71929855) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide
PubChem CID71929855
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O3S/c21-17(9-12-3-1-2-4-12)18-16-10-15(13-5-6-13)19-20(16)14-7-8-24(22,23)11-14/h1,3,10,12-14H,2,4-9,11H2,(H,18,21)
InChIKeyZSRYDTLUKLYWHU-UHFFFAOYSA-N
XLogP2.41
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-4-phenylbutanamide
CID 51955986
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]cyclohex-3-ene-1-carboxamide
CID 71993640
N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]cyclohex-3-ene-1-carboxamide
CID 72000720
N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-3-methylbutanamide
CID 96196647
N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-2-methylpropanamide
CID 96508454
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3R)-1,1-dioxothian-3-yl]acetamide
CID 129344787
2-[(3R)-1,1-dioxothian-3-yl]-N-(3-ethyl-1-methylpyrazol-5-yl)acetamide
CID 164643105
N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide
CID 71874061
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 60418899
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 133835445
(1,1-dioxothiolan-3-yl)-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136761201
[1-(3-Cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676299

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide (CID 71929855) is 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide is O=C(CC1C=CCC1)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide?
The InChIKey is ZSRYDTLUKLYWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-17(9-12-3-1-2-4-12)18-16-10-15(13-5-6-13)19-20(16)14-7-8-24(22,23)11-14/h1,3,10,12-14H,2,4-9,11H2,(H,18,21).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 71929855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).