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

C22H23N3O4 — CID 2333870

IUPAC[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-9-8-16(14-20(19)28-2)21-18(22(26)24-10-12-29-13-11-24)15-25(23-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyISLCSKGSKNLUHD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.03
Rot. Bonds5

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

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 2333870) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID2333870
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-9-8-16(14-20(19)28-2)21-18(22(26)24-10-12-29-13-11-24)15-25(23-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyISLCSKGSKNLUHD-UHFFFAOYSA-N
XLogP3.03
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 2333870) is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ISLCSKGSKNLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-9-8-16(14-20(19)28-2)21-18(22(26)24-10-12-29-13-11-24)15-25(23-21)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 393.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2333870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).