[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C21H21N3O2 — CID 883452

IUPAC[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-17(10-8-16)20-19(21(25)23-11-13-26-14-12-23)15-24(22-20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyOJIQGODTRQZSQC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.32
Rot. Bonds3

About [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 883452) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID883452
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-17(10-8-16)20-19(21(25)23-11-13-26-14-12-23)15-24(22-20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKeyOJIQGODTRQZSQC-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

1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
1-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}piperidine
CID 1288695
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 883452) is [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is OJIQGODTRQZSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-7-9-17(10-8-16)20-19(21(25)23-11-13-26-14-12-23)15-24(22-20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3.
What are the key properties of [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-(4-methylphenyl)-1-phenylpyrazol-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 [3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 883452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).