[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

C23H25FN4O2 — CID 11640131

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CCCN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,2,4,10-14,25H2
InChIKeyUGLOHEBRMNZKKE-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.09
Rot. Bonds7

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (PubChem CID 11640131) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
PubChem CID11640131
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(CCCN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,2,4,10-14,25H2
InChIKeyUGLOHEBRMNZKKE-UHFFFAOYSA-N
XLogP3.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone (CID 11640131) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is Nc1c(C(=O)c2cccc(CCCN3CCOCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
The InChIKey is UGLOHEBRMNZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-6-8-20(9-7-19)28-23(25)21(16-26-28)22(29)18-5-1-3-17(15-18)4-2-10-27-11-13-30-14-12-27/h1,3,5-9,15-16H,2,4,10-14,25H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone has a molecular weight of 408.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-morpholin-4-ylpropyl)phenyl]methanone is sourced from PubChem (CID 11640131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).