N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine

C11H21N3O2S — CID 75393034

IUPACN-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCC(C)(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-8-10(7-13-14)12-9-11(2,3)17(4,15)16/h7-8,12H,5-6,9H2,1-4H3
InChIKeyVAWACSUCBOHSKJ-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.53
Rot. Bonds6

About N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine

N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine (PubChem CID 75393034) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
PubChem CID75393034
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCC(C)(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-8-10(7-13-14)12-9-11(2,3)17(4,15)16/h7-8,12H,5-6,9H2,1-4H3
InChIKeyVAWACSUCBOHSKJ-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine (CID 75393034) is N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine is CCCn1cc(NCC(C)(C)S(C)(=O)=O)cn1.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine?
The InChIKey is VAWACSUCBOHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-6-14-8-10(7-13-14)12-9-11(2,3)17(4,15)16/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine?
N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine has a molecular weight of 259.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 75393034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).