3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine

C12H23N5O2S — CID 102825945

IUPAC3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine
SMILESCCCn1nc(N2CCN[C@H](C)C2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H23N5O2S/c1-4-6-17-11(13)10(20(3,18)19)12(15-17)16-7-5-14-9(2)8-16/h9,14H,4-8,13H2,1-3H3/t9-/m1/s1
InChIKeyAZCWDSNCMRIRQJ-SECBINFHSA-N
MW301.42 g/mol
LogP0.08
Rot. Bonds4

About 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine

3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine (PubChem CID 102825945) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine
PubChem CID102825945
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine
SMILESCCCn1nc(N2CCN[C@H](C)C2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H23N5O2S/c1-4-6-17-11(13)10(20(3,18)19)12(15-17)16-7-5-14-9(2)8-16/h9,14H,4-8,13H2,1-3H3/t9-/m1/s1
InChIKeyAZCWDSNCMRIRQJ-SECBINFHSA-N
XLogP0.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine?
The IUPAC name of 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine (CID 102825945) is 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine.
What is the SMILES notation for 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine?
The canonical SMILES for 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine is CCCn1nc(N2CCN[C@H](C)C2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine?
The InChIKey is AZCWDSNCMRIRQJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-4-6-17-11(13)10(20(3,18)19)12(15-17)16-7-5-14-9(2)8-16/h9,14H,4-8,13H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine?
3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine has a molecular weight of 301.42 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine is sourced from PubChem (CID 102825945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).