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

C21H20ClN3O3 — CID 71698176

IUPAC[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-8-6-17(7-9-18)25-20(15-2-4-16(22)5-3-15)14-19(23-25)21(26)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3
InChIKeyAHSWVUNPOCKACG-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.67
Rot. Bonds4

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

[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 71698176) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID71698176
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-8-6-17(7-9-18)25-20(15-2-4-16(22)5-3-15)14-19(23-25)21(26)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3
InChIKeyAHSWVUNPOCKACG-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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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 71698176) is [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is AHSWVUNPOCKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-8-6-17(7-9-18)25-20(15-2-4-16(22)5-3-15)14-19(23-25)21(26)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-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 [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71698176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).