1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C17H24N4O3S — CID 17060302

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C17H24N4O3S/c1-3-20-14-17(12-18-20)25(22,23)21-10-8-19(9-11-21)13-15-4-6-16(24-2)7-5-15/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyLPFJULGFTXOABG-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.42
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 17060302) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID17060302
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C17H24N4O3S/c1-3-20-14-17(12-18-20)25(22,23)21-10-8-19(9-11-21)13-15-4-6-16(24-2)7-5-15/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyLPFJULGFTXOABG-UHFFFAOYSA-N
XLogP1.42
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 131907176
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 22208281
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 24556314
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
4-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 131841726

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 17060302) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is LPFJULGFTXOABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-20-14-17(12-18-20)25(22,23)21-10-8-19(9-11-21)13-15-4-6-16(24-2)7-5-15/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 17060302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).