1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide

C12H24N4O2S — CID 106028775

IUPAC1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC(C)CC(C)C)cn1
InChIInChI=1S/C12H24N4O2S/c1-10(2)7-11(3)15-19(17,18)12-8-14-16(9-12)6-5-13-4/h8-11,13,15H,5-7H2,1-4H3
InChIKeyNCMKJZHGOOBXOU-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.82
Rot. Bonds8

About 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide

1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide (PubChem CID 106028775) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
PubChem CID106028775
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC(C)CC(C)C)cn1
InChIInChI=1S/C12H24N4O2S/c1-10(2)7-11(3)15-19(17,18)12-8-14-16(9-12)6-5-13-4/h8-11,13,15H,5-7H2,1-4H3
InChIKeyNCMKJZHGOOBXOU-UHFFFAOYSA-N
XLogP0.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106003980
N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106084613
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(1-cyclopropylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106065825
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide (CID 106028775) is 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NC(C)CC(C)C)cn1.
What is the InChIKey of 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is NCMKJZHGOOBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-10(2)7-11(3)15-19(17,18)12-8-14-16(9-12)6-5-13-4/h8-11,13,15H,5-7H2,1-4H3.
What are the key properties of 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide?
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106028775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).