N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

C12H24N4O3S — CID 106054208

IUPACN-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NC(C)COCC)cn1
InChIInChI=1S/C12H24N4O3S/c1-4-13-6-7-16-9-12(8-14-16)20(17,18)15-11(3)10-19-5-2/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyKUDJZXXGNSVCJT-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.20
Rot. Bonds10

About N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106054208) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106054208
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NC(C)COCC)cn1
InChIInChI=1S/C12H24N4O3S/c1-4-13-6-7-16-9-12(8-14-16)20(17,18)15-11(3)10-19-5-2/h8-9,11,13,15H,4-7,10H2,1-3H3
InChIKeyKUDJZXXGNSVCJT-UHFFFAOYSA-N
XLogP0.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
1-[2-(ethylamino)ethyl]-N-(3-methylsulfanylbutyl)pyrazole-4-sulfonamide
CID 106082166
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 106002543
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (CID 106054208) is N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)NC(C)COCC)cn1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is KUDJZXXGNSVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-4-13-6-7-16-9-12(8-14-16)20(17,18)15-11(3)10-19-5-2/h8-9,11,13,15H,4-7,10H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106054208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).