5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine

C9H17N3O2S — CID 66027323

IUPAC5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCCS(=O)(=O)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-5-15(13,14)9-8(10)7(4)11-12(9)6(2)3/h6H,5,10H2,1-4H3
InChIKeyDOMOFBSMRDVNJN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.15
Rot. Bonds3

About 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine

5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66027323) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66027323
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCCS(=O)(=O)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-5-15(13,14)9-8(10)7(4)11-12(9)6(2)3/h6H,5,10H2,1-4H3
InChIKeyDOMOFBSMRDVNJN-UHFFFAOYSA-N
XLogP1.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66027323) is 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine is CCS(=O)(=O)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DOMOFBSMRDVNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-15(13,14)9-8(10)7(4)11-12(9)6(2)3/h6H,5,10H2,1-4H3.
What are the key properties of 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66027323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).