N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide

C14H23N3O4S — CID 74248943

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCn1cc(CN(CCOC)C(=O)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H23N3O4S/c1-3-17-10-12(8-15-17)9-16(5-6-21-2)14(18)13-4-7-22(19,20)11-13/h8,10,13H,3-7,9,11H2,1-2H3
InChIKeyVAHVXIISMIMSIM-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.31
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 74248943) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID74248943
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCn1cc(CN(CCOC)C(=O)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H23N3O4S/c1-3-17-10-12(8-15-17)9-16(5-6-21-2)14(18)13-4-7-22(19,20)11-13/h8,10,13H,3-7,9,11H2,1-2H3
InChIKeyVAHVXIISMIMSIM-UHFFFAOYSA-N
XLogP0.31
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

methyl 3-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958859
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 64913179
(1,1-dioxothiolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 115336218
1-(azepan-1-yl)-2-[(1-ethylpyrazol-4-yl)methyl-(2-methoxyethyl)amino]ethanone
CID 118783020
1-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 125165327
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 61140908
2-(1,1-dioxothiolan-3-yl)-2-[(1-ethylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450522
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 125180022
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 133109702
methyl 2-[(1,1-dioxothiolane-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952441

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide (CID 74248943) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide is CCn1cc(CN(CCOC)C(=O)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is VAHVXIISMIMSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-17-10-12(8-15-17)9-16(5-6-21-2)14(18)13-4-7-22(19,20)11-13/h8,10,13H,3-7,9,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 74248943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).