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

C22H22ClN3O4 — CID 19002371

IUPAC[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c(C(=O)N3CCOCC3)cnn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H22ClN3O4/c1-28-19-8-3-15(13-20(19)29-2)21-18(22(27)25-9-11-30-12-10-25)14-24-26(21)17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyRBECVYGAQSASTK-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.68
Rot. Bonds5

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

[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 19002371) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID19002371
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c(C(=O)N3CCOCC3)cnn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H22ClN3O4/c1-28-19-8-3-15(13-20(19)29-2)21-18(22(27)25-9-11-30-12-10-25)14-24-26(21)17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyRBECVYGAQSASTK-UHFFFAOYSA-N
XLogP3.68
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 19005849
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
CID 67584480
[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-ylprop-2-en-1-one
CID 69169085
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone (CID 19002371) is [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2c(C(=O)N3CCOCC3)cnn2-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RBECVYGAQSASTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-28-19-8-3-15(13-20(19)29-2)21-18(22(27)25-9-11-30-12-10-25)14-24-26(21)17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 427.89 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 19002371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).