1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide

C10H17N3O3S — CID 74243028

IUPAC1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCS(=O)(=O)CC)cn1
InChIInChI=1S/C10H17N3O3S/c1-3-13-8-9(7-12-13)10(14)11-5-6-17(15,16)4-2/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyFCGGPNMRKSUCPC-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.07
Rot. Bonds6

About 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide

1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide (PubChem CID 74243028) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide
PubChem CID74243028
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCS(=O)(=O)CC)cn1
InChIInChI=1S/C10H17N3O3S/c1-3-13-8-9(7-12-13)10(14)11-5-6-17(15,16)4-2/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyFCGGPNMRKSUCPC-UHFFFAOYSA-N
XLogP0.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-Dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 2765014
[1-Methyl-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] ethanesulfonate
CID 76326978
1-[3-(ethanesulfonyl)propyl]-1H-pyrazole-4-carbaldehyde
CID 65096817
1-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-1H-pyrazole-4-carboxamide
CID 70760368
3-(2-methylpropylsulfonyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 71875501
1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
CID 71974775
1-tert-butyl-N-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 71974846
N-(3,3-dimethylbutylsulfonyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 91651370
N-[(2S)-butan-2-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 97822302
1-(2-methylpropyl)-N-(2-sulfamoylethyl)pyrazole-4-carboxamide
CID 132378270
1-isopropyl-N-{2-[(trifluoromethyl)thio]ethyl}-1H-pyrazole-4-carboxamide
CID 70743235
N-(2-cyclopentylsulfanylethyl)-1-methylpyrazole-4-carboxamide
CID 32542662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide (CID 74243028) is 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCCS(=O)(=O)CC)cn1.
What is the InChIKey of 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide?
The InChIKey is FCGGPNMRKSUCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-13-8-9(7-12-13)10(14)11-5-6-17(15,16)4-2/h7-8H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide?
1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylsulfonylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 74243028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).