4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide

C10H16N4O3S — CID 65357083

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N4O3S/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-18(16,17)6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyPDNSDTPEDDCKTB-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.60
Rot. Bonds3

About 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide

4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 65357083) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID65357083
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N4O3S/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-18(16,17)6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyPDNSDTPEDDCKTB-UHFFFAOYSA-N
XLogP-0.60
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-(thiolan-3-yl)pyrazole-5-carboxamide
CID 103062218
4-amino-N-(1-cyclohexylpropyl)-1-ethylpyrazole-5-carboxamide
CID 65358575
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106358691
4-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-5-carboxamide
CID 65358909
4-amino-1-ethyl-N-(2-oxopiperidin-3-yl)pyrazole-5-carboxamide
CID 65358956
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
4-amino-1-ethyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 65358906
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-3-carboxamide
CID 45147682
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
4-amino-1-ethyl-N-[(2-methylcyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358665
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide (CID 65357083) is 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is PDNSDTPEDDCKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-2-14-9(8(11)5-12-14)10(15)13-7-3-4-18(16,17)6-7/h5,7H,2-4,6,11H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.60, 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-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65357083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).