2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

C12H20N4O4S — CID 61140908

IUPAC2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cn1cc(N)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N4O4S/c1-20-4-3-16(11-2-5-21(18,19)9-11)12(17)8-15-7-10(13)6-14-15/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyQJLCPPWNBKWEGT-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.87
Rot. Bonds6

About 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 61140908) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID61140908
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)Cn1cc(N)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H20N4O4S/c1-20-4-3-16(11-2-5-21(18,19)9-11)12(17)8-15-7-10(13)6-14-15/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyQJLCPPWNBKWEGT-UHFFFAOYSA-N
XLogP-0.87
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide
CID 43445497
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 61115720
2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 43445485
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754529
2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 64685282
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 78831570
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949711
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
ethyl 4-[2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108527336
N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-cyclopentylacetamide
CID 61110215

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (CID 61140908) is 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)Cn1cc(N)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is QJLCPPWNBKWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-20-4-3-16(11-2-5-21(18,19)9-11)12(17)8-15-7-10(13)6-14-15/h6-7,11H,2-5,8-9,13H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of -0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61140908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).