1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine

C13H25N5O2S — CID 102825662

IUPAC1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCN1CCN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N5O2S/c1-13(2,3)18-11(14)10(21(5,19)20)12(15-18)17-8-6-16(4)7-9-17/h6-9,14H2,1-5H3
InChIKeyDKQUMJVMLWJFPW-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.38
Rot. Bonds2

About 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine

1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825662) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
PubChem CID102825662
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCN1CCN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H25N5O2S/c1-13(2,3)18-11(14)10(21(5,19)20)12(15-18)17-8-6-16(4)7-9-17/h6-9,14H2,1-5H3
InChIKeyDKQUMJVMLWJFPW-UHFFFAOYSA-N
XLogP0.38
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine (CID 102825662) is 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine is CN1CCN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The InChIKey is DKQUMJVMLWJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-13(2,3)18-11(14)10(21(5,19)20)12(15-18)17-8-6-16(4)7-9-17/h6-9,14H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine has a molecular weight of 315.44 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).