N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

C11H17N3O3S — CID 146124038

IUPACN-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C11H17N3O3S/c1-3-8-6-10(13-12-8)11(15)14(2)9-4-5-18(16,17)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyAWBKCMOVNBCKLM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.23
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 146124038) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID146124038
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n[nH]1
InChIInChI=1S/C11H17N3O3S/c1-3-8-6-10(13-12-8)11(15)14(2)9-4-5-18(16,17)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyAWBKCMOVNBCKLM-UHFFFAOYSA-N
XLogP0.23
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 113200172
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106538
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109351966
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)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275
6-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 62240492
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110853041
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
6-(butylamino)-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpyrimidine-4-carboxamide
CID 109361591
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (CID 146124038) is N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N(C)C2CCS(=O)(=O)C2)n[nH]1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is AWBKCMOVNBCKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-8-6-10(13-12-8)11(15)14(2)9-4-5-18(16,17)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146124038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).