1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C14H18N4O2S — CID 110097833

IUPAC1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1c1ccccc1
InChIInChI=1S/C14H18N4O2S/c1-17-7-8-18(21(19,20)13-9-15-16-10-13)11-14(17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,15,16)
InChIKeySUEYMBFPKSMXBT-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.09
Rot. Bonds3

About 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 110097833) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID110097833
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1c1ccccc1
InChIInChI=1S/C14H18N4O2S/c1-17-7-8-18(21(19,20)13-9-15-16-10-13)11-14(17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,15,16)
InChIKeySUEYMBFPKSMXBT-UHFFFAOYSA-N
XLogP1.09
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 110097833) is 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is CN1CCN(S(=O)(=O)c2cn[nH]c2)CC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is SUEYMBFPKSMXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-7-8-18(21(19,20)13-9-15-16-10-13)11-14(17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3,(H,15,16).
What are the key properties of 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 306.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 110097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).