4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine

C12H24N4O2S — CID 79859068

IUPAC4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCS(C)(=O)=O)c1CC(C)N
InChIInChI=1S/C12H24N4O2S/c1-9(13)8-11-10(2)14-16(4)12(11)15(3)6-7-19(5,17)18/h9H,6-8,13H2,1-5H3
InChIKeyQTNROHXCCLSJDT-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.10
Rot. Bonds6

About 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine

4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine (PubChem CID 79859068) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
PubChem CID79859068
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCS(C)(=O)=O)c1CC(C)N
InChIInChI=1S/C12H24N4O2S/c1-9(13)8-11-10(2)14-16(4)12(11)15(3)6-7-19(5,17)18/h9H,6-8,13H2,1-5H3
InChIKeyQTNROHXCCLSJDT-UHFFFAOYSA-N
XLogP0.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 63785131
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
CID 63785609
4-(2-aminopropyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 82965033
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
3-[1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazol-4-yl]prop-2-enoic acid
CID 79850299
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815275
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815854
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylcyclohexyl)pyrazol-5-amine
CID 63815837

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine (CID 79859068) is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CCS(C)(=O)=O)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine?
The InChIKey is QTNROHXCCLSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9(13)8-11-10(2)14-16(4)12(11)15(3)6-7-19(5,17)18/h9H,6-8,13H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine?
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine has a molecular weight of 288.42 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine is sourced from PubChem (CID 79859068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).