3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine

C8H15N3O2S — CID 66013093

IUPAC3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-4-5-11-8(14(3,12)13)7(9)6(2)10-11/h4-5,9H2,1-3H3
InChIKeyHNNVTEXSRTUUTC-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.59
Rot. Bonds3

About 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine

3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine (PubChem CID 66013093) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine
PubChem CID66013093
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-4-5-11-8(14(3,12)13)7(9)6(2)10-11/h4-5,9H2,1-3H3
InChIKeyHNNVTEXSRTUUTC-UHFFFAOYSA-N
XLogP0.59
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine (CID 66013093) is 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine?
The InChIKey is HNNVTEXSRTUUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-5-11-8(14(3,12)13)7(9)6(2)10-11/h4-5,9H2,1-3H3.
What are the key properties of 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine?
3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine has a molecular weight of 217.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfonyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66013093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).