N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide

C11H17N3O3S — CID 110685859

IUPACN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n(C)n1
InChIInChI=1S/C11H17N3O3S/c1-8-6-10(14(3)12-8)11(15)13(2)9-4-5-18(16,17)7-9/h6,9H,4-5,7H2,1-3H3
InChIKeyNJXLTNZSFZJEOS-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.01
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 110685859) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID110685859
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n(C)n1
InChIInChI=1S/C11H17N3O3S/c1-8-6-10(14(3)12-8)11(15)13(2)9-4-5-18(16,17)7-9/h6,9H,4-5,7H2,1-3H3
InChIKeyNJXLTNZSFZJEOS-UHFFFAOYSA-N
XLogP-0.01
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
CID 110467315
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43648411
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
(2,5-dimethylpyrazol-3-yl)-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 95578555
(2,5-dimethylpyrazol-3-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 56797413
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylfuran-3-carboxamide
CID 43053942
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxopyran-3-carboxamide
CID 110697472
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide (CID 110685859) is N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n(C)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is NJXLTNZSFZJEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-6-10(14(3)12-8)11(15)13(2)9-4-5-18(16,17)7-9/h6,9H,4-5,7H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 271.34 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).