1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine

C27H36N4 — CID 25065259

IUPAC1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
SMILESCc1ccc(-c2cc(CCCN3CCN(c4ccccc4)CC3)nn2C(C)(C)C)cc1
InChIInChI=1S/C27H36N4/c1-22-12-14-23(15-13-22)26-21-24(28-31(26)27(2,3)4)9-8-16-29-17-19-30(20-18-29)25-10-6-5-7-11-25/h5-7,10-15,21H,8-9,16-20H2,1-4H3
InChIKeyREUSMIVVWVWEOI-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.37
Rot. Bonds6

About 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine

1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine (PubChem CID 25065259) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
PubChem CID25065259
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC Name1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
SMILESCc1ccc(-c2cc(CCCN3CCN(c4ccccc4)CC3)nn2C(C)(C)C)cc1
InChIInChI=1S/C27H36N4/c1-22-12-14-23(15-13-22)26-21-24(28-31(26)27(2,3)4)9-8-16-29-17-19-30(20-18-29)25-10-6-5-7-11-25/h5-7,10-15,21H,8-9,16-20H2,1-4H3
InChIKeyREUSMIVVWVWEOI-UHFFFAOYSA-N
XLogP5.37
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-tert-butyl-5-(4-methoxyphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25065874
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-(3,4-dichlorophenyl)piperazine
CID 25065459
4-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 25065458
1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
1-[3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propyl]-4-(2,4-dimethylphenyl)piperazine
CID 68557089
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
CID 25064429
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine (CID 25065259) is 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine is Cc1ccc(-c2cc(CCCN3CCN(c4ccccc4)CC3)nn2C(C)(C)C)cc1.
What is the InChIKey of 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine?
The InChIKey is REUSMIVVWVWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4/c1-22-12-14-23(15-13-22)26-21-24(28-31(26)27(2,3)4)9-8-16-29-17-19-30(20-18-29)25-10-6-5-7-11-25/h5-7,10-15,21H,8-9,16-20H2,1-4H3.
What are the key properties of 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine?
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine has a molecular weight of 416.61 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 25065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).