1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine

C30H32N4 — CID 71583849

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine
SMILESc1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1
InChIInChI=1S/C30H32N4/c1-2-4-29(5-3-1)34-23-27(21-31-34)22-32-16-18-33(19-17-32)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2
InChIKeyVVPCRKVUSARVSE-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.08
Rot. Bonds4

About 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine

1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine (PubChem CID 71583849) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine
PubChem CID71583849
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine
SMILESc1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1
InChIInChI=1S/C30H32N4/c1-2-4-29(5-3-1)34-23-27(21-31-34)22-32-16-18-33(19-17-32)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2
InChIKeyVVPCRKVUSARVSE-UHFFFAOYSA-N
XLogP5.08
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine with MolForge

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
2-Methyl-5-(4-{2-[3-(1H-pyrazol-1-yl)phenyl]ethyl}-1-piperazinyl)quinoline
CID 49850772
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
US11608337, Example 18
CID 132085817
N-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16187377
1-acetyl-4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4-diazepane
CID 16189906
4-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4-diazepane-1-carbaldehyde
CID 16190404
N-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-3-(1H-pyrazol-1-yl)-1-propanamine
CID 16190821

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine (CID 71583849) is 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine is c1ccc(-n2cc(CN3CCN(c4cc5ccc4CCc4ccc(cc4)CC5)CC3)cn2)cc1.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine?
The InChIKey is VVPCRKVUSARVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4/c1-2-4-29(5-3-1)34-23-27(21-31-34)22-32-16-18-33(19-17-32)30-20-26-11-10-24-6-8-25(9-7-24)12-14-28(30)15-13-26/h1-9,13,15,20-21,23H,10-12,14,16-19,22H2.
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine?
1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine has a molecular weight of 448.61 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazine is sourced from PubChem (CID 71583849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).