(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

C23H26N4O — CID 2738508

IUPAC(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C
InChIInChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3
InChIKeySSGJAUSSGPIZEE-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.28
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 2738508) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID2738508
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C
InChIInChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3
InChIKeySSGJAUSSGPIZEE-UHFFFAOYSA-N
XLogP3.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (CID 2738508) is (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1C.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is SSGJAUSSGPIZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 2738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).