2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide

C9H13N3O3S — CID 43432104

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O3S/c13-9(12-8-4-10-11-5-8)3-7-1-2-16(14,15)6-7/h4-5,7H,1-3,6H2,(H,10,11)(H,12,13)
InChIKeyWMGYVABMFHDOIV-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.17
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43432104) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43432104
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O3S/c13-9(12-8-4-10-11-5-8)3-7-1-2-16(14,15)6-7/h4-5,7H,1-3,6H2,(H,10,11)(H,12,13)
InChIKeyWMGYVABMFHDOIV-UHFFFAOYSA-N
XLogP0.17
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
1,1-dioxo-N-(1H-pyrazol-4-yl)thiolane-3-carboxamide
CID 43429642
3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429799
2-(methanesulfonamido)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 43430672
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43430742
1-ethylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43430748
2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540251
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540431
3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide
CID 43540440
1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 43540452
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 53502630
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54893819

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide (CID 43432104) is 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1cn[nH]c1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is WMGYVABMFHDOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-9(12-8-4-10-11-5-8)3-7-1-2-16(14,15)6-7/h4-5,7H,1-3,6H2,(H,10,11)(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 243.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43432104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).