3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine

C10H19N3O2S — CID 66013095

IUPAC3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1S(=O)(=O)CCC
InChIInChI=1S/C10H19N3O2S/c1-4-6-13-10(9(11)8(3)12-13)16(14,15)7-5-2/h4-7,11H2,1-3H3
InChIKeyCCALPRFDPLYZDY-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.37
Rot. Bonds5

About 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine

3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine (PubChem CID 66013095) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine
PubChem CID66013095
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1S(=O)(=O)CCC
InChIInChI=1S/C10H19N3O2S/c1-4-6-13-10(9(11)8(3)12-13)16(14,15)7-5-2/h4-7,11H2,1-3H3
InChIKeyCCALPRFDPLYZDY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine?
The IUPAC name of 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine (CID 66013095) is 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine is CCCn1nc(C)c(N)c1S(=O)(=O)CCC.
What is the InChIKey of 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine?
The InChIKey is CCALPRFDPLYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-6-13-10(9(11)8(3)12-13)16(14,15)7-5-2/h4-7,11H2,1-3H3.
What are the key properties of 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine?
3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-propylsulfonylpyrazol-4-amine is sourced from PubChem (CID 66013095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).