N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide

C10H19N3O4S — CID 102692312

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H19N3O4S/c1-16-8-3-6-13(7-9-17-2)18(14,15)10-4-5-11-12-10/h4-5H,3,6-9H2,1-2H3,(H,11,12)
InChIKeyGOWQYBHWRQSLIA-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.08
Rot. Bonds9

About N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide

N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692312) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692312
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H19N3O4S/c1-16-8-3-6-13(7-9-17-2)18(14,15)10-4-5-11-12-10/h4-5H,3,6-9H2,1-2H3,(H,11,12)
InChIKeyGOWQYBHWRQSLIA-UHFFFAOYSA-N
XLogP0.08
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
N-ethyl-2-methoxy-N-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)benzenesulfonamide
CID 171909595
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159352
3-[2-methylpropyl(1H-pyrazol-5-ylsulfonyl)amino]propanethioamide
CID 102691182
5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 61041408
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107492994
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102690371

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide (CID 102692312) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide is COCCCN(CCOC)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GOWQYBHWRQSLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-16-8-3-6-13(7-9-17-2)18(14,15)10-4-5-11-12-10/h4-5H,3,6-9H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).