5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine

C13H15FN4O — CID 115111616

IUPAC5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(F)cc2N2CCOCC2)[nH]n1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(11-8-13(15)17-16-11)12(7-9)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H3,15,16,17)
InChIKeyYNVRQDVPJHXFJF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.63
Rot. Bonds2

About 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine

5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 115111616) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine
PubChem CID115111616
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(F)cc2N2CCOCC2)[nH]n1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(11-8-13(15)17-16-11)12(7-9)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H3,15,16,17)
InChIKeyYNVRQDVPJHXFJF-UHFFFAOYSA-N
XLogP1.63
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine (CID 115111616) is 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(F)cc2N2CCOCC2)[nH]n1.
What is the InChIKey of 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is YNVRQDVPJHXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-1-2-10(11-8-13(15)17-16-11)12(7-9)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H3,15,16,17).
What are the key properties of 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine?
5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine has a molecular weight of 262.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115111616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).