(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone

C21H21N3O2 — CID 3079318

IUPAC(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-16-19(21(25)23-12-14-26-15-13-23)20(17-8-4-2-5-9-17)22-24(16)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyABMKWVIZWAIYEZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.32
Rot. Bonds3

About (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone

(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 3079318) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
PubChem CID3079318
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-16-19(21(25)23-12-14-26-15-13-23)20(17-8-4-2-5-9-17)22-24(16)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyABMKWVIZWAIYEZ-UHFFFAOYSA-N
XLogP3.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 42331686
(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 156585563
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,3-diphenylpyrazol-4-yl)methanone
CID 19478034
(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478030
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone (CID 3079318) is (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is ABMKWVIZWAIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-19(21(25)23-12-14-26-15-13-23)20(17-8-4-2-5-9-17)22-24(16)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone?
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3079318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).