3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

C25H29N3O4 — CID 42850635

IUPAC3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1cccc(Oc2c(CCC(=O)N3CCOCC3)c(C)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C25H29N3O4/c1-18-6-4-7-20(16-18)28-25(32-22-9-5-8-21(17-22)30-3)23(19(2)26-28)10-11-24(29)27-12-14-31-15-13-27/h4-9,16-17H,10-15H2,1-3H3
InChIKeyVQMPSSCFXGMANG-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.08
Rot. Bonds7

About 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one

3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42850635) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42850635
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCOc1cccc(Oc2c(CCC(=O)N3CCOCC3)c(C)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C25H29N3O4/c1-18-6-4-7-20(16-18)28-25(32-22-9-5-8-21(17-22)30-3)23(19(2)26-28)10-11-24(29)27-12-14-31-15-13-27/h4-9,16-17H,10-15H2,1-3H3
InChIKeyVQMPSSCFXGMANG-UHFFFAOYSA-N
XLogP4.08
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-methyl-5-(2-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42850672
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 46043113
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
CID 42850660
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 17471893
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 9225743
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 42850635) is 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is COc1cccc(Oc2c(CCC(=O)N3CCOCC3)c(C)nn2-c2cccc(C)c2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is VQMPSSCFXGMANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-6-4-7-20(16-18)28-25(32-22-9-5-8-21(17-22)30-3)23(19(2)26-28)10-11-24(29)27-12-14-31-15-13-27/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 435.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42850635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).