4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine

C9H17N5O2S — CID 55216172

IUPAC4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2N)CCN1C
InChIInChI=1S/C9H17N5O2S/c1-7-6-14(4-3-13(7)2)17(15,16)8-5-11-12-9(8)10/h5,7H,3-4,6H2,1-2H3,(H3,10,11,12)
InChIKeyKITWWGVOGZUAEB-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.68
Rot. Bonds2

About 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine

4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine (PubChem CID 55216172) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
PubChem CID55216172
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2N)CCN1C
InChIInChI=1S/C9H17N5O2S/c1-7-6-14(4-3-13(7)2)17(15,16)8-5-11-12-9(8)10/h5,7H,3-4,6H2,1-2H3,(H3,10,11,12)
InChIKeyKITWWGVOGZUAEB-UHFFFAOYSA-N
XLogP-0.68
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine (CID 55216172) is 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine is CC1CN(S(=O)(=O)c2cn[nH]c2N)CCN1C.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The InChIKey is KITWWGVOGZUAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-7-6-14(4-3-13(7)2)17(15,16)8-5-11-12-9(8)10/h5,7H,3-4,6H2,1-2H3,(H3,10,11,12).
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine?
4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 55216172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).