3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine

C10H19N3O2S — CID 66027324

IUPAC3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C10H19N3O2S/c1-5-6-16(14,15)10-9(11)8(4)12-13(10)7(2)3/h7H,5-6,11H2,1-4H3
InChIKeyZFXGLBVEBIVXBH-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine

3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine (PubChem CID 66027324) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine
PubChem CID66027324
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C10H19N3O2S/c1-5-6-16(14,15)10-9(11)8(4)12-13(10)7(2)3/h7H,5-6,11H2,1-4H3
InChIKeyZFXGLBVEBIVXBH-UHFFFAOYSA-N
XLogP1.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine (CID 66027324) is 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine is CCCS(=O)(=O)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine?
The InChIKey is ZFXGLBVEBIVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-6-16(14,15)10-9(11)8(4)12-13(10)7(2)3/h7H,5-6,11H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine?
3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-propylsulfonylpyrazol-4-amine is sourced from PubChem (CID 66027324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).