N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide

C15H23N5O3S — CID 75455806

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCOCCN(C)C)cnn1-c1ccccn1
InChIInChI=1S/C15H23N5O3S/c1-13-14(12-17-20(13)15-6-4-5-7-16-15)24(21,22)18-8-10-23-11-9-19(2)3/h4-7,12,18H,8-11H2,1-3H3
InChIKeyLCVYKBCTCNKFPI-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.43
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 75455806) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID75455806
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCOCCN(C)C)cnn1-c1ccccn1
InChIInChI=1S/C15H23N5O3S/c1-13-14(12-17-20(13)15-6-4-5-7-16-15)24(21,22)18-8-10-23-11-9-19(2)3/h4-7,12,18H,8-11H2,1-3H3
InChIKeyLCVYKBCTCNKFPI-UHFFFAOYSA-N
XLogP0.43
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 75455806) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCOCCN(C)C)cnn1-c1ccccn1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is LCVYKBCTCNKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-13-14(12-17-20(13)15-6-4-5-7-16-15)24(21,22)18-8-10-23-11-9-19(2)3/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 75455806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).