1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine

C10H19N3O2S — CID 65092955

IUPAC1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-13-9(3)10(11)8(2)12-13/h4-7,11H2,1-3H3
InChIKeyMXQAHTBITHHDFS-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.91
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine

1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 65092955) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine
PubChem CID65092955
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-13-9(3)10(11)8(2)12-13/h4-7,11H2,1-3H3
InChIKeyMXQAHTBITHHDFS-UHFFFAOYSA-N
XLogP0.91
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine (CID 65092955) is 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine is CCS(=O)(=O)CCCn1nc(C)c(N)c1C.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is MXQAHTBITHHDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-16(14,15)7-5-6-13-9(3)10(11)8(2)12-13/h4-7,11H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine?
1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 65092955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).