4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine

C12H23N5O2S — CID 61138449

IUPAC4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESCC(C)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H23N5O2S/c1-10(2)3-4-16-5-7-17(8-6-16)20(18,19)11-9-14-15-12(11)13/h9-10H,3-8H2,1-2H3,(H3,13,14,15)
InChIKeyZUJUBBRBZXMDIM-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.34
Rot. Bonds5

About 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine

4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine (PubChem CID 61138449) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine
PubChem CID61138449
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine
SMILESCC(C)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H23N5O2S/c1-10(2)3-4-16-5-7-17(8-6-16)20(18,19)11-9-14-15-12(11)13/h9-10H,3-8H2,1-2H3,(H3,13,14,15)
InChIKeyZUJUBBRBZXMDIM-UHFFFAOYSA-N
XLogP0.34
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine (CID 61138449) is 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine is CC(C)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine?
The InChIKey is ZUJUBBRBZXMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-10(2)3-4-16-5-7-17(8-6-16)20(18,19)11-9-14-15-12(11)13/h9-10H,3-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine?
4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine has a molecular weight of 301.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutyl)piperazin-1-yl]sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 61138449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).