N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C16H25N3O3S — CID 75477007

IUPACN-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C16H25N3O3S/c1-11(2)10-19-14(5)16(12(3)17-19)23(20,21)18(6)13(4)15-8-7-9-22-15/h7-9,11,13H,10H2,1-6H3
InChIKeyHFLVJTIAEDHPPT-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.13
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 75477007) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID75477007
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C16H25N3O3S/c1-11(2)10-19-14(5)16(12(3)17-19)23(20,21)18(6)13(4)15-8-7-9-22-15/h7-9,11,13H,10H2,1-6H3
InChIKeyHFLVJTIAEDHPPT-UHFFFAOYSA-N
XLogP3.13
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 75477007) is N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)C(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is HFLVJTIAEDHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)10-19-14(5)16(12(3)17-19)23(20,21)18(6)13(4)15-8-7-9-22-15/h7-9,11,13H,10H2,1-6H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75477007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).