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

C10H15N3O3S — CID 54893819

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCc1cn[nH]c1
InChIInChI=1S/C10H15N3O3S/c14-10(11-4-9-5-12-13-6-9)3-8-1-2-17(15,16)7-8/h5-6,8H,1-4,7H2,(H,11,14)(H,12,13)
InChIKeyDHJWNWHIOFTHDA-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.15
Rot. Bonds4

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

2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54893819) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54893819
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCc1cn[nH]c1
InChIInChI=1S/C10H15N3O3S/c14-10(11-4-9-5-12-13-6-9)3-8-1-2-17(15,16)7-8/h5-6,8H,1-4,7H2,(H,11,14)(H,12,13)
InChIKeyDHJWNWHIOFTHDA-UHFFFAOYSA-N
XLogP-0.15
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676633
5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715036
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43432104
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897068
2-amino-4-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 54897255
2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 60768161
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60966240
3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967570
1-ethylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 60999793
2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61357055
N-(1,1-dioxothian-3-yl)-1H-pyrazole-4-carboxamide
CID 63922998

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54893819) is 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(CC1CCS(=O)(=O)C1)NCc1cn[nH]c1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is DHJWNWHIOFTHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-10(11-4-9-5-12-13-6-9)3-8-1-2-17(15,16)7-8/h5-6,8H,1-4,7H2,(H,11,14)(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.15, 4 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-ylmethyl)acetamide is sourced from PubChem (CID 54893819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).