(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

C22H23N3O2 — CID 24575611

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1
InChIInChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyXYORWHJBNHLEAU-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.46
Rot. Bonds4

About (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 24575611) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID24575611
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1
InChIInChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3
InChIKeyXYORWHJBNHLEAU-UHFFFAOYSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-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

Related Compounds

(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31415184
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
CID 60607152
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854
methyl (2R)-4-(1-benzyl-3-phenylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9272475
ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 42916406
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
CID 86953684
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 17465173
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (CID 24575611) is (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCO1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is XYORWHJBNHLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-14-24(12-13-27-17)22(26)20-16-25(15-18-8-4-2-5-9-18)23-21(20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24575611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).