1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine

C9H17N3O2S — CID 106723988

IUPAC1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine
SMILESCCCS(=O)(=O)CCNc1cnn(C)c1
InChIInChI=1S/C9H17N3O2S/c1-3-5-15(13,14)6-4-10-9-7-11-12(2)8-9/h7-8,10H,3-6H2,1-2H3
InChIKeyHCORVODPEUIWAV-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds6

About 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine

1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine (PubChem CID 106723988) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine
PubChem CID106723988
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine
SMILESCCCS(=O)(=O)CCNc1cnn(C)c1
InChIInChI=1S/C9H17N3O2S/c1-3-5-15(13,14)6-4-10-9-7-11-12(2)8-9/h7-8,10H,3-6H2,1-2H3
InChIKeyHCORVODPEUIWAV-UHFFFAOYSA-N
XLogP0.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine (CID 106723988) is 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine is CCCS(=O)(=O)CCNc1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine?
The InChIKey is HCORVODPEUIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-5-15(13,14)6-4-10-9-7-11-12(2)8-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine?
1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 106723988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).