1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine

C8H16N4OS — CID 164656091

IUPAC1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine
SMILES[H]N=S(=O)(Nc1cnn(CC)c1)C(C)C
InChIInChI=1S/C8H16N4OS/c1-4-12-6-8(5-10-12)11-14(9,13)7(2)3/h5-7H,4H2,1-3H3,(H2,9,11,13)
InChIKeyUBODKXQPZUQFBI-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.69
Rot. Bonds4

About 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine

1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine (PubChem CID 164656091) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine
PubChem CID164656091
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine
SMILES[H]N=S(=O)(Nc1cnn(CC)c1)C(C)C
InChIInChI=1S/C8H16N4OS/c1-4-12-6-8(5-10-12)11-14(9,13)7(2)3/h5-7H,4H2,1-3H3,(H2,9,11,13)
InChIKeyUBODKXQPZUQFBI-UHFFFAOYSA-N
XLogP1.69
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(1-ethylpyrazol-4-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999856
N,1-diethylpyrazol-4-amine
CID 43543394
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
CID 43543616
N-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31913122
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine (CID 164656091) is 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine is [H]N=S(=O)(Nc1cnn(CC)c1)C(C)C.
What is the InChIKey of 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine?
The InChIKey is UBODKXQPZUQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-4-12-6-8(5-10-12)11-14(9,13)7(2)3/h5-7H,4H2,1-3H3,(H2,9,11,13).
What are the key properties of 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine?
1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine has a molecular weight of 216.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine is sourced from PubChem (CID 164656091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).