(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

C27H26N4O — CID 71824945

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27(24-20-28-29-25(24)21-10-4-1-5-11-21)31-18-16-30(17-19-31)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,26H,16-19H2,(H,28,29)
InChIKeyPBUGBPUWJKAXNM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.62
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 71824945) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID71824945
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H26N4O/c32-27(24-20-28-29-25(24)21-10-4-1-5-11-21)31-18-16-30(17-19-31)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,26H,16-19H2,(H,28,29)
InChIKeyPBUGBPUWJKAXNM-UHFFFAOYSA-N
XLogP4.62
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17408119
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 154747999
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 71824945) is (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is PBUGBPUWJKAXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(24-20-28-29-25(24)21-10-4-1-5-11-21)31-18-16-30(17-19-31)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,26H,16-19H2,(H,28,29).
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 71824945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).