1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide

C12H22N4O3S — CID 106057062

IUPAC1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C12H22N4O3S/c1-10(9-19-2)15-20(17,18)12-7-14-16(8-12)6-5-13-11-3-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3
InChIKeyHMMWHUVSKUBRMJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.05
Rot. Bonds9

About 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide

1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 106057062) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
PubChem CID106057062
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C12H22N4O3S/c1-10(9-19-2)15-20(17,18)12-7-14-16(8-12)6-5-13-11-3-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3
InChIKeyHMMWHUVSKUBRMJ-UHFFFAOYSA-N
XLogP-0.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
CID 106026808
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
N-(1-cyclopropylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106065825
1-[2-(cyclopropylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084404
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64604624
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide (CID 106057062) is 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide is COCC(C)NS(=O)(=O)c1cnn(CCNC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is HMMWHUVSKUBRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-10(9-19-2)15-20(17,18)12-7-14-16(8-12)6-5-13-11-3-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide?
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106057062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).