3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine

C12H23N3O2S — CID 134713587

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-10-12(11(2)14-13-10)6-5-7-15(3)8-9-18(4,16)17/h5-9H2,1-4H3,(H,13,14)
InChIKeyYICWJTBGBPRABT-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.94
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 134713587) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID134713587
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-10-12(11(2)14-13-10)6-5-7-15(3)8-9-18(4,16)17/h5-9H2,1-4H3,(H,13,14)
InChIKeyYICWJTBGBPRABT-UHFFFAOYSA-N
XLogP0.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine (CID 134713587) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine is Cc1n[nH]c(C)c1CCCN(C)CCS(C)(=O)=O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is YICWJTBGBPRABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10-12(11(2)14-13-10)6-5-7-15(3)8-9-18(4,16)17/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 134713587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).