1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine

C12H23N5O2S — CID 63605060

IUPAC1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
SMILESCCC1CN(S(=O)(=O)c2cn(CC)nc2N)CCN1C
InChIInChI=1S/C12H23N5O2S/c1-4-10-8-17(7-6-15(10)3)20(18,19)11-9-16(5-2)14-12(11)13/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyHXESQUNNSKOVPM-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.20
Rot. Bonds4

About 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine

1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 63605060) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
PubChem CID63605060
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine
SMILESCCC1CN(S(=O)(=O)c2cn(CC)nc2N)CCN1C
InChIInChI=1S/C12H23N5O2S/c1-4-10-8-17(7-6-15(10)3)20(18,19)11-9-16(5-2)14-12(11)13/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyHXESQUNNSKOVPM-UHFFFAOYSA-N
XLogP0.20
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 94025245
1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 136585396
(2S,6R)-2,6-dimethyl-4-(1-methylpyrazol-4-yl)sulfonyl-1-(2,2,2-trifluoroethyl)piperazine
CID 138018315
1-((1-Methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247404
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006605
3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892700
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine (CID 63605060) is 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine is CCC1CN(S(=O)(=O)c2cn(CC)nc2N)CCN1C.
What is the InChIKey of 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is HXESQUNNSKOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-4-10-8-17(7-6-15(10)3)20(18,19)11-9-16(5-2)14-12(11)13/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine?
1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 301.42 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 63605060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).