1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine

C12H23N3O2S — CID 114984287

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1cc(C)nn1C
InChIInChI=1S/C12H23N3O2S/c1-5-7-13-11(6-8-18(4,16)17)12-9-10(2)14-15(12)3/h9,11,13H,5-8H2,1-4H3
InChIKeyCHIZLZNYSSBIMU-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.20
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 114984287) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
PubChem CID114984287
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1cc(C)nn1C
InChIInChI=1S/C12H23N3O2S/c1-5-7-13-11(6-8-18(4,16)17)12-9-10(2)14-15(12)3/h9,11,13H,5-8H2,1-4H3
InChIKeyCHIZLZNYSSBIMU-UHFFFAOYSA-N
XLogP1.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163107
1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 105164051
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(1,3-dimethylpyrazol-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 102803115
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105161876
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
3-methylsulfonyl-N-propyl-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 62603368
N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine (CID 114984287) is 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine is CCCNC(CCS(C)(=O)=O)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is CHIZLZNYSSBIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-7-13-11(6-8-18(4,16)17)12-9-10(2)14-15(12)3/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 114984287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).