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

C21H22FN5O2 — CID 18728365

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(NCN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O2/c22-16-4-6-18(7-5-16)27-21(23)19(13-25-27)20(28)15-2-1-3-17(12-15)24-14-26-8-10-29-11-9-26/h1-7,12-13,24H,8-11,14,23H2
InChIKeyZODCWGNIPQICBS-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.53
Rot. Bonds6

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

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone (PubChem CID 18728365) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone
PubChem CID18728365
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone
SMILESNc1c(C(=O)c2cccc(NCN3CCOCC3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O2/c22-16-4-6-18(7-5-16)27-21(23)19(13-25-27)20(28)15-2-1-3-17(12-15)24-14-26-8-10-29-11-9-26/h1-7,12-13,24H,8-11,14,23H2
InChIKeyZODCWGNIPQICBS-UHFFFAOYSA-N
XLogP2.53
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone (CID 18728365) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone is Nc1c(C(=O)c2cccc(NCN3CCOCC3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone?
The InChIKey is ZODCWGNIPQICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-16-4-6-18(7-5-16)27-21(23)19(13-25-27)20(28)15-2-1-3-17(12-15)24-14-26-8-10-29-11-9-26/h1-7,12-13,24H,8-11,14,23H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone has a molecular weight of 395.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 18728365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).