(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

C27H25N3O2 — CID 31415184

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C27H25N3O2/c31-27(29-16-17-32-25(20-29)22-12-6-2-7-13-22)24-19-30(18-21-10-4-1-5-11-21)28-26(24)23-14-8-3-9-15-23/h1-15,19,25H,16-18,20H2/t25-/m0/s1
InChIKeyHBIJNZCFZABXSR-VWLOTQADSA-N
MW423.52 g/mol
LogP4.81
Rot. Bonds5

About (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 31415184) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID31415184
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C27H25N3O2/c31-27(29-16-17-32-25(20-29)22-12-6-2-7-13-22)24-19-30(18-21-10-4-1-5-11-21)28-26(24)23-14-8-3-9-15-23/h1-15,19,25H,16-18,20H2/t25-/m0/s1
InChIKeyHBIJNZCFZABXSR-VWLOTQADSA-N
XLogP4.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
CID 60607152
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
methyl (2R)-4-(1-benzyl-3-phenylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9272475
[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 17465173
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone
CID 8006130
[3-(aminomethyl)pyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119484360
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 31415184) is (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is HBIJNZCFZABXSR-VWLOTQADSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-27(29-16-17-32-25(20-29)22-12-6-2-7-13-22)24-19-30(18-21-10-4-1-5-11-21)28-26(24)23-14-8-3-9-15-23/h1-15,19,25H,16-18,20H2/t25-/m0/s1.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 4.81, 5 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)-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 31415184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).