(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone

C22H23N3O3 — CID 16925608

IUPAC(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H23N3O3/c26-22(24-11-13-27-14-12-24)20-16-25(15-18-7-3-1-4-8-18)23-21(20)28-17-19-9-5-2-6-10-19/h1-10,16H,11-15,17H2
InChIKeyOPNDLQKQYSAEON-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.98
Rot. Bonds6

About (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone

(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 16925608) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone
PubChem CID16925608
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C22H23N3O3/c26-22(24-11-13-27-14-12-24)20-16-25(15-18-7-3-1-4-8-18)23-21(20)28-17-19-9-5-2-6-10-19/h1-10,16H,11-15,17H2
InChIKeyOPNDLQKQYSAEON-UHFFFAOYSA-N
XLogP2.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(1-benzylpyrazol-4-yl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 168272137
1-benzyl-3-(benzyloxy)-1H-pyrazole-4-carboxylic acid
CID 44116774
3-(benzyloxy)-N-ethyl-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 76330442
(1-benzyl-3-(benzyloxy)-1H-pyrazol-4-yl)(4-benzylpiperidin-1-yl)methanone
CID 16841441
(1-benzyl-3-(benzyloxy)-1H-pyrazol-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 16925615
1-(4-fluorobenzyl)-3-((4-fluorobenzyl)oxy)-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-4-carboxamide
CID 16925749
ethyl 1-(1-(3-fluorobenzyl)-3-((3-fluorobenzyl)oxy)-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16925833
N-cyclopentyl-1-(3-fluorobenzyl)-3-((3-fluorobenzyl)oxy)-1H-pyrazole-4-carboxamide
CID 16925852
(4-benzylpiperidin-1-yl)(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789425
(E)-(4-cinnamylpiperazin-1-yl)(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789459
3-methoxy-N-(2-methoxy-2-(o-tolyl)ethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 71810469
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 90599086

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone (CID 16925608) is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone is O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCOCC1.
What is the InChIKey of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is OPNDLQKQYSAEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(24-11-13-27-14-12-24)20-16-25(15-18-7-3-1-4-8-18)23-21(20)28-17-19-9-5-2-6-10-19/h1-10,16H,11-15,17H2.
What are the key properties of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone?
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 377.44 g/mol, XLogP of 2.98, 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)-morpholin-4-ylmethanone is sourced from PubChem (CID 16925608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).