1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine

C23H22N4S — CID 57332356

IUPAC1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine
SMILESc1ccc(N2CCN(c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-3-8-19(9-4-1)25-13-15-26(16-14-25)23-18-21(22-12-7-17-28-22)24-27(23)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2
InChIKeyAXILKBPTUNTLEL-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.93
Rot. Bonds4

About 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine

1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine (PubChem CID 57332356) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine
PubChem CID57332356
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine
SMILESc1ccc(N2CCN(c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-3-8-19(9-4-1)25-13-15-26(16-14-25)23-18-21(22-12-7-17-28-22)24-27(23)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2
InChIKeyAXILKBPTUNTLEL-UHFFFAOYSA-N
XLogP4.93
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 155537868
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
CID 2322865
1-(2-Fluorophenyl)-3-(piperazin1-yl)-1h-thieno[3,2-c]pyrazole
CID 168011410
5-cyclopropyl-3-methyl-1,6-diphenyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276580
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
CID 42690237
{[5-(4-Ethylpiperazin-1-YL)-1-(3-fluorophenyl)-3-propyl-1H-pyrazol-4-YL]methyl}[(3-methylthiophen-2-YL)methyl]propylamine
CID 42690463
1-(2-fluorophenyl)-4-(3-(1-phenyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propyl)piperazine
CID 25064850
3-(3,5-Dimethylpyrazol-1-yl)-6-thiophen-3-ylpyridazine
CID 134966064
3-Methyl-1-phenyl-N-(2-thienylmethylene)-1H-pyrazol-5-amine
CID 139069969
1-[5,6-Dimethyl-2-(thiophen-2-YL)pyrazolo[1,5-A]pyrimidin-7-YL]-4-(2-fluorophenyl)piperazine
CID 1434801
1-[5,6-Dimethyl-2-(thiophen-2-YL)pyrazolo[1,5-A]pyrimidin-7-YL]-4-(4-fluorophenyl)piperazine
CID 1434804

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine?
The IUPAC name of 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine (CID 57332356) is 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine.
What is the SMILES notation for 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine?
The canonical SMILES for 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine is c1ccc(N2CCN(c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine?
The InChIKey is AXILKBPTUNTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-3-8-19(9-4-1)25-13-15-26(16-14-25)23-18-21(22-12-7-17-28-22)24-27(23)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2.
What are the key properties of 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine?
1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine has a molecular weight of 386.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine is sourced from PubChem (CID 57332356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).