N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C10H19FN4O2S — CID 114267232

IUPACN-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NCCF)c1C
InChIInChI=1S/C10H19FN4O2S/c1-8-10(18(16,17)13-5-4-11)9(2)15(14-8)7-6-12-3/h12-13H,4-7H2,1-3H3
InChIKeySDHQZZPAOSACAA-UHFFFAOYSA-N
MW278.35 g/mol
LogP-0.03
Rot. Bonds7

About N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 114267232) has the molecular formula C10H19FN4O2S and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID114267232
Molecular FormulaC10H19FN4O2S
Molecular Weight278.35 g/mol
Exact Mass278.12
IUPAC NameN-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NCCF)c1C
InChIInChI=1S/C10H19FN4O2S/c1-8-10(18(16,17)13-5-4-11)9(2)15(14-8)7-6-12-3/h12-13H,4-7H2,1-3H3
InChIKeySDHQZZPAOSACAA-UHFFFAOYSA-N
XLogP-0.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106051653
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
CID 106075859
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106067618
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 114267232) is N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1nc(C)c(S(=O)(=O)NCCF)c1C.
What is the InChIKey of N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is SDHQZZPAOSACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4O2S/c1-8-10(18(16,17)13-5-4-11)9(2)15(14-8)7-6-12-3/h12-13H,4-7H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 278.35 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 114267232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).