1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine

C10H18N4O2S — CID 5047365

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N4O2S/c1-8-10(9(2)12-11-8)17(15,16)14-6-4-13(3)5-7-14/h4-7H2,1-3H3,(H,11,12)
InChIKeyIVKDKZHQNRRRDA-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.04
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine (PubChem CID 5047365) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
PubChem CID5047365
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H18N4O2S/c1-8-10(9(2)12-11-8)17(15,16)14-6-4-13(3)5-7-14/h4-7H2,1-3H3,(H,11,12)
InChIKeyIVKDKZHQNRRRDA-UHFFFAOYSA-N
XLogP-0.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine (CID 5047365) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine?
The InChIKey is IVKDKZHQNRRRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-10(9(2)12-11-8)17(15,16)14-6-4-13(3)5-7-14/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine has a molecular weight of 258.35 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 5047365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).