4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine

C13H14FN3O — CID 139225374

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine
SMILESFc1ccc(-c2cc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)12-9-13(16-15-12)17-5-7-18-8-6-17/h1-4,9H,5-8H2,(H,15,16)
InChIKeyBDIQBUQMWHHRHK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.05
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine

4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine (PubChem CID 139225374) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine
PubChem CID139225374
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine
SMILESFc1ccc(-c2cc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)12-9-13(16-15-12)17-5-7-18-8-6-17/h1-4,9H,5-8H2,(H,15,16)
InChIKeyBDIQBUQMWHHRHK-UHFFFAOYSA-N
XLogP2.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]acetamide
CID 1081357
1-(5-phenyl-1H-pyrazol-3-yl)azepane
CID 973199
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
[6-(4-Fluorophenyl)pyridazin-3-yl](2-morpholin-4-ylethyl)amine
CID 24746981
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 24997749
4-(6-Phenylpyridazin-3-yl)morpholine
CID 24784339
4-cyano-N-(5-phenyl-1H-pyrazol-3-yl)morpholine-2-carboxamide
CID 141758433
Indazole, 3-((3-morpholinopropyl)amino)-
CID 3065651
4-morpholino-1H-indazol-3-amine
CID 57494570
5-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 118735740
4-[6-(4-Fluorophenyl)pyridazin-3-yl]morpholine
CID 71528374

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine (CID 139225374) is 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine is Fc1ccc(-c2cc(N3CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is BDIQBUQMWHHRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)12-9-13(16-15-12)17-5-7-18-8-6-17/h1-4,9H,5-8H2,(H,15,16).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine?
4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 247.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 139225374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).