3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride

C15H21ClN4O2S — CID 119981903

IUPAC3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCNC(C)C3)cn2)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-12-3-5-14(6-4-12)19-11-15(9-17-19)22(20,21)18-8-7-16-13(2)10-18;/h3-6,9,11,13,16H,7-8,10H2,1-2H3;1H
InChIKeyKTQCARJCCNHZSQ-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.58
Rot. Bonds3

About 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride

3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride (PubChem CID 119981903) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
PubChem CID119981903
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC Name3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCNC(C)C3)cn2)cc1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-12-3-5-14(6-4-12)19-11-15(9-17-19)22(20,21)18-8-7-16-13(2)10-18;/h3-6,9,11,13,16H,7-8,10H2,1-2H3;1H
InChIKeyKTQCARJCCNHZSQ-UHFFFAOYSA-N
XLogP1.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride (CID 119981903) is 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride is Cc1ccc(-n2cc(S(=O)(=O)N3CCNC(C)C3)cn2)cc1.Cl.
What is the InChIKey of 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride?
The InChIKey is KTQCARJCCNHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-12-3-5-14(6-4-12)19-11-15(9-17-19)22(20,21)18-8-7-16-13(2)10-18;/h3-6,9,11,13,16H,7-8,10H2,1-2H3;1H.
What are the key properties of 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride?
3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119981903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).