(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone

C30H31N3O2 — CID 16841441

IUPAC(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C30H31N3O2/c34-30(32-18-16-25(17-19-32)20-24-10-4-1-5-11-24)28-22-33(21-26-12-6-2-7-13-26)31-29(28)35-23-27-14-8-3-9-15-27/h1-15,22,25H,16-21,23H2
InChIKeyKBEGLQYKFOLAOK-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.61
Rot. Bonds8

About (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone

(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone (PubChem CID 16841441) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone
PubChem CID16841441
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C30H31N3O2/c34-30(32-18-16-25(17-19-32)20-24-10-4-1-5-11-24)28-22-33(21-26-12-6-2-7-13-26)31-29(28)35-23-27-14-8-3-9-15-27/h1-15,22,25H,16-21,23H2
InChIKeyKBEGLQYKFOLAOK-UHFFFAOYSA-N
XLogP5.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone (CID 16841441) is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone is O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is KBEGLQYKFOLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-30(32-18-16-25(17-19-32)20-24-10-4-1-5-11-24)28-22-33(21-26-12-6-2-7-13-26)31-29(28)35-23-27-14-8-3-9-15-27/h1-15,22,25H,16-21,23H2.
What are the key properties of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone?
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 465.60 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 16841441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).