(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride

C10H19ClN4O2S — CID 120716901

IUPAC(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@H]1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-7-6-11-4-5-14(7)17(15,16)10-8(2)12-13-9(10)3;/h7,11H,4-6H2,1-3H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyRMPCGAUFKSZWIJ-OGFXRTJISA-N
MW294.81 g/mol
LogP0.43
Rot. Bonds2

About (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride

(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride (PubChem CID 120716901) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
PubChem CID120716901
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@H]1C.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-7-6-11-4-5-14(7)17(15,16)10-8(2)12-13-9(10)3;/h7,11H,4-6H2,1-3H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyRMPCGAUFKSZWIJ-OGFXRTJISA-N
XLogP0.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
CID 120725679
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CID 120763175
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544982
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 60979617
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680713
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969883
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-2-yl]methanamine
CID 103441557

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride (CID 120716901) is (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@H]1C.Cl.
What is the InChIKey of (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride?
The InChIKey is RMPCGAUFKSZWIJ-OGFXRTJISA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-7-6-11-4-5-14(7)17(15,16)10-8(2)12-13-9(10)3;/h7,11H,4-6H2,1-3H3,(H,12,13);1H/t7-;/m1./s1.
What are the key properties of (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride?
(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120716901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).