1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine

C27H36N4 — CID 68559968

IUPAC1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCN(c3ccc(C)cc3C)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C27H36N4/c1-4-9-24-21-26(31(28-24)25-10-6-5-7-11-25)12-8-15-29-16-18-30(19-17-29)27-14-13-22(2)20-23(27)3/h5-7,10-11,13-14,20-21H,4,8-9,12,15-19H2,1-3H3
InChIKeySSAWUOZKEQULOH-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.20
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine

1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine (PubChem CID 68559968) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
PubChem CID68559968
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC Name1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
SMILESCCCc1cc(CCCN2CCN(c3ccc(C)cc3C)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C27H36N4/c1-4-9-24-21-26(31(28-24)25-10-6-5-7-11-25)12-8-15-29-16-18-30(19-17-29)27-14-13-22(2)20-23(27)3/h5-7,10-11,13-14,20-21H,4,8-9,12,15-19H2,1-3H3
InChIKeySSAWUOZKEQULOH-UHFFFAOYSA-N
XLogP5.20
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
1-(3,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine;hydrochloride
CID 71766546
2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278851
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
1-(4-chlorophenyl)-4-[3-(1-phenyl-5-propylpyrazol-3-yl)propyl]piperazine
CID 68557259
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one
CID 69379759
1-[4-[5-(methoxymethyl)-1-phenylpyrazol-3-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 142706669
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279532
1-[3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propyl]-4-(2,4-dimethylphenyl)piperazine
CID 68557089
1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
CID 25064429
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine (CID 68559968) is 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine is CCCc1cc(CCCN2CCN(c3ccc(C)cc3C)CC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine?
The InChIKey is SSAWUOZKEQULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4/c1-4-9-24-21-26(31(28-24)25-10-6-5-7-11-25)12-8-15-29-16-18-30(19-17-29)27-14-13-22(2)20-23(27)3/h5-7,10-11,13-14,20-21H,4,8-9,12,15-19H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine?
1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine has a molecular weight of 416.61 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine is sourced from PubChem (CID 68559968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).