N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide

C14H27N3O3S — CID 79471794

IUPACN-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C14H27N3O3S/c1-6-11(3)10-16(7-2)21(19,20)14-12(4)15-17(8-9-18)13(14)5/h11,18H,6-10H2,1-5H3
InChIKeyVMCSLWVCHXXLSZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.55
Rot. Bonds8

About N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide

N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide (PubChem CID 79471794) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
PubChem CID79471794
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C14H27N3O3S/c1-6-11(3)10-16(7-2)21(19,20)14-12(4)15-17(8-9-18)13(14)5/h11,18H,6-10H2,1-5H3
InChIKeyVMCSLWVCHXXLSZ-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide (CID 79471794) is N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1c(C)nn(CCO)c1C.
What is the InChIKey of N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The InChIKey is VMCSLWVCHXXLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-11(3)10-16(7-2)21(19,20)14-12(4)15-17(8-9-18)13(14)5/h11,18H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide?
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79471794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).