[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C21H20ClN3O3 — CID 3999491

IUPAC[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-6-4-5-15(13-16)18-14-20(21(26)24-9-11-28-12-10-24)25(23-18)19-8-3-2-7-17(19)22/h2-8,13-14H,9-12H2,1H3
InChIKeyOQAHXAGDXSBKJW-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.67
Rot. Bonds4

About [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3999491) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3999491
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-6-4-5-15(13-16)18-14-20(21(26)24-9-11-28-12-10-24)25(23-18)19-8-3-2-7-17(19)22/h2-8,13-14H,9-12H2,1H3
InChIKeyOQAHXAGDXSBKJW-UHFFFAOYSA-N
XLogP3.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
(4-benzhydrylpiperazin-1-yl)-[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]methanone
CID 42758695
[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3879205
[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4016772
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3907292
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 3959522
[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758383
[1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1053670
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
CID 50745622
[1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 5097237

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 3999491) is [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is COc1cccc(-c2cc(C(=O)N3CCOCC3)n(-c3ccccc3Cl)n2)c1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is OQAHXAGDXSBKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-16-6-4-5-15(13-16)18-14-20(21(26)24-9-11-28-12-10-24)25(23-18)19-8-3-2-7-17(19)22/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 397.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3999491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).