4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine

C9H17N5O2S — CID 54923130

IUPAC4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H17N5O2S/c1-2-13-3-5-14(6-4-13)17(15,16)8-7-11-12-9(8)10/h7H,2-6H2,1H3,(H3,10,11,12)
InChIKeyIEZYCODFCHBAFQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.68
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine

4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine (PubChem CID 54923130) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
PubChem CID54923130
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H17N5O2S/c1-2-13-3-5-14(6-4-13)17(15,16)8-7-11-12-9(8)10/h7H,2-6H2,1H3,(H3,10,11,12)
InChIKeyIEZYCODFCHBAFQ-UHFFFAOYSA-N
XLogP-0.68
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine (CID 54923130) is 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine is CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The InChIKey is IEZYCODFCHBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-2-13-3-5-14(6-4-13)17(15,16)8-7-11-12-9(8)10/h7H,2-6H2,1H3,(H3,10,11,12).
What are the key properties of 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 54923130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).