1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine

C26H26N4 — CID 175397594

IUPAC1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-14-16-30(17-15-29)24-12-10-21(11-13-24)25-19-26(28-27-25)23-9-5-8-22(18-23)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,27,28)
InChIKeyBUCCDISYRILRNV-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.16
Rot. Bonds4

About 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine

1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine (PubChem CID 175397594) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine
PubChem CID175397594
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C26H26N4/c1-29-14-16-30(17-15-29)24-12-10-21(11-13-24)25-19-26(28-27-25)23-9-5-8-22(18-23)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,27,28)
InChIKeyBUCCDISYRILRNV-UHFFFAOYSA-N
XLogP5.16
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine (CID 175397594) is 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine is CN1CCN(c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)n[nH]3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine?
The InChIKey is BUCCDISYRILRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-29-14-16-30(17-15-29)24-12-10-21(11-13-24)25-19-26(28-27-25)23-9-5-8-22(18-23)20-6-3-2-4-7-20/h2-13,18-19H,14-17H2,1H3,(H,27,28).
What are the key properties of 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine?
1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine has a molecular weight of 394.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine is sourced from PubChem (CID 175397594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).