1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine

C25H31ClN4 — CID 68557259

IUPAC1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H31ClN4/c1-2-7-25-20-22(27-30(25)24-9-4-3-5-10-24)8-6-15-28-16-18-29(19-17-28)23-13-11-21(26)12-14-23/h3-5,9-14,20H,2,6-8,15-19H2,1H3
InChIKeyCSSWRKUYPPYLBH-UHFFFAOYSA-N
MW423.00 g/mol
LogP5.23
Rot. Bonds8

About 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine

1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine (PubChem CID 68557259) has the molecular formula C25H31ClN4 and a molecular weight of 423.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
PubChem CID68557259
Molecular FormulaC25H31ClN4
Molecular Weight423.00 g/mol
Exact Mass422.22
IUPAC Name1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H31ClN4/c1-2-7-25-20-22(27-30(25)24-9-4-3-5-10-24)8-6-15-28-16-18-29(19-17-28)23-13-11-21(26)12-14-23/h3-5,9-14,20H,2,6-8,15-19H2,1H3
InChIKeyCSSWRKUYPPYLBH-UHFFFAOYSA-N
XLogP5.23
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine;hydrochloride
CID 71766546
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278849
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 142706669
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065259
1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
CID 70151216
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine (CID 68557259) is 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine is CCCc1cc(CCCN2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine?
The InChIKey is CSSWRKUYPPYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4/c1-2-7-25-20-22(27-30(25)24-9-4-3-5-10-24)8-6-15-28-16-18-29(19-17-28)23-13-11-21(26)12-14-23/h3-5,9-14,20H,2,6-8,15-19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine?
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine has a molecular weight of 423.00 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine is sourced from PubChem (CID 68557259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).