1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

C20H30N4O2S — CID 22208447

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-4-6-18-7-9-20(10-8-18)27(25,26)24-13-11-22(12-14-24)15-19-16-23(5-2)21-17(19)3/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyDHHRMRXHTBFOFB-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.67
Rot. Bonds7

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 22208447) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID22208447
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-4-6-18-7-9-20(10-8-18)27(25,26)24-13-11-22(12-14-24)15-19-16-23(5-2)21-17(19)3/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyDHHRMRXHTBFOFB-UHFFFAOYSA-N
XLogP2.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208461
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46972416
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine (CID 22208447) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)cc1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is DHHRMRXHTBFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-4-6-18-7-9-20(10-8-18)27(25,26)24-13-11-22(12-14-24)15-19-16-23(5-2)21-17(19)3/h7-10,16H,4-6,11-15H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 390.55 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 22208447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).