1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide

C13H23N3O4S — CID 103340608

IUPAC1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C13H23N3O4S/c1-5-6-15(8-10-20-4)21(18,19)13-11(2)14-16(7-9-17)12(13)3/h5,17H,1,6-10H2,2-4H3
InChIKeyWRDDWDYUJVMQPP-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.32
Rot. Bonds9

About 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 103340608) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID103340608
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C13H23N3O4S/c1-5-6-15(8-10-20-4)21(18,19)13-11(2)14-16(7-9-17)12(13)3/h5,17H,1,6-10H2,2-4H3
InChIKeyWRDDWDYUJVMQPP-UHFFFAOYSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79471794
3-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
CID 19682229
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 60951084
1-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 104648864
1-ethyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyrrole-3-sulfonamide
CID 103340591
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113317283
2,4-difluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 103340564
3-chloro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090912

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide (CID 103340608) is 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1c(C)nn(CCO)c1C.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is WRDDWDYUJVMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-5-6-15(8-10-20-4)21(18,19)13-11(2)14-16(7-9-17)12(13)3/h5,17H,1,6-10H2,2-4H3.
What are the key properties of 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 103340608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).