(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C24H27N3O3 — CID 40925650

IUPAC(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C24H27N3O3/c1-18-13-26(14-19(2)30-18)24(28)22-16-27(15-20-9-5-3-6-10-20)25-23(22)29-17-21-11-7-4-8-12-21/h3-12,16,18-19H,13-15,17H2,1-2H3/t18-,19-/m1/s1
InChIKeyZUGJNPQOTLGXCT-RTBURBONSA-N
MW405.50 g/mol
LogP3.76
Rot. Bonds6

About (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 40925650) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID40925650
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C24H27N3O3/c1-18-13-26(14-19(2)30-18)24(28)22-16-27(15-20-9-5-3-6-10-20)25-23(22)29-17-21-11-7-4-8-12-21/h3-12,16,18-19H,13-15,17H2,1-2H3/t18-,19-/m1/s1
InChIKeyZUGJNPQOTLGXCT-RTBURBONSA-N
XLogP3.76
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-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)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 40925650) is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C[C@@H](C)O1.
What is the InChIKey of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is ZUGJNPQOTLGXCT-RTBURBONSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-13-26(14-19(2)30-18)24(28)22-16-27(15-20-9-5-3-6-10-20)25-23(22)29-17-21-11-7-4-8-12-21/h3-12,16,18-19H,13-15,17H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 40925650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).