1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine

C18H26N4O3S — CID 131945444

IUPAC1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine
SMILESCCCn1cc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C18H26N4O3S/c1-2-8-21-16-18(15-19-21)26(23,24)22-11-9-20(10-12-22)13-14-25-17-6-4-3-5-7-17/h3-7,15-16H,2,8-14H2,1H3
InChIKeyLPTPLLAKKGPNGB-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.68
Rot. Bonds8

About 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine

1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 131945444) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine
PubChem CID131945444
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine
SMILESCCCn1cc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C18H26N4O3S/c1-2-8-21-16-18(15-19-21)26(23,24)22-11-9-20(10-12-22)13-14-25-17-6-4-3-5-7-17/h3-7,15-16H,2,8-14H2,1H3
InChIKeyLPTPLLAKKGPNGB-UHFFFAOYSA-N
XLogP1.68
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine (CID 131945444) is 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine is CCCn1cc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cn1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is LPTPLLAKKGPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-2-8-21-16-18(15-19-21)26(23,24)22-11-9-20(10-12-22)13-14-25-17-6-4-3-5-7-17/h3-7,15-16H,2,8-14H2,1H3.
What are the key properties of 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine?
1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 378.50 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-(1-propylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 131945444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).