4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide

C11H18N4O3S — CID 65358133

IUPAC4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N4O3S/c1-2-15-7-9(12)10(14-15)11(16)13-8-3-5-19(17,18)6-4-8/h7-8H,2-6,12H2,1H3,(H,13,16)
InChIKeyMYZIXVADNVTMHZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds3

About 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 65358133) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID65358133
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N4O3S/c1-2-15-7-9(12)10(14-15)11(16)13-8-3-5-19(17,18)6-4-8/h7-8H,2-6,12H2,1H3,(H,13,16)
InChIKeyMYZIXVADNVTMHZ-UHFFFAOYSA-N
XLogP-0.21
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308
4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
CID 65363091
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-3-carboxamide
CID 45147682
4-amino-1-ethyl-N-(2-methylcyclopropyl)pyrazole-3-carboxamide
CID 65358265
4-amino-1-ethyl-N-(3-ethyl-2-methylcyclopentyl)pyrazole-3-carboxamide
CID 65363260
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-N-(1-cyclohexylethyl)-1-ethylpyrazole-3-carboxamide
CID 65358266
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65358130
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 132586551
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide (CID 65358133) is 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is MYZIXVADNVTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-15-7-9(12)10(14-15)11(16)13-8-3-5-19(17,18)6-4-8/h7-8H,2-6,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 65358133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).