4-(4-fluoro-1H-pyrazol-5-yl)morpholine

C7H10FN3O — CID 89419659

IUPAC4-(4-fluoro-1H-pyrazol-5-yl)morpholine
SMILESFc1cn[nH]c1N1CCOCC1
InChIInChI=1S/C7H10FN3O/c8-6-5-9-10-7(6)11-1-3-12-4-2-11/h5H,1-4H2,(H,9,10)
InChIKeyHGORUAQNIGMIGZ-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.39
Rot. Bonds1

About 4-(4-fluoro-1H-pyrazol-5-yl)morpholine

4-(4-fluoro-1H-pyrazol-5-yl)morpholine (PubChem CID 89419659) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-(4-fluoro-1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-fluoro-1H-pyrazol-5-yl)morpholine
PubChem CID89419659
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name4-(4-fluoro-1H-pyrazol-5-yl)morpholine
SMILESFc1cn[nH]c1N1CCOCC1
InChIInChI=1S/C7H10FN3O/c8-6-5-9-10-7(6)11-1-3-12-4-2-11/h5H,1-4H2,(H,9,10)
InChIKeyHGORUAQNIGMIGZ-UHFFFAOYSA-N
XLogP0.39
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-pyrazol-5-yl)morpholine?
The IUPAC name of 4-(4-fluoro-1H-pyrazol-5-yl)morpholine (CID 89419659) is 4-(4-fluoro-1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for 4-(4-fluoro-1H-pyrazol-5-yl)morpholine?
The canonical SMILES for 4-(4-fluoro-1H-pyrazol-5-yl)morpholine is Fc1cn[nH]c1N1CCOCC1.
What is the InChIKey of 4-(4-fluoro-1H-pyrazol-5-yl)morpholine?
The InChIKey is HGORUAQNIGMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c8-6-5-9-10-7(6)11-1-3-12-4-2-11/h5H,1-4H2,(H,9,10).
What are the key properties of 4-(4-fluoro-1H-pyrazol-5-yl)morpholine?
4-(4-fluoro-1H-pyrazol-5-yl)morpholine has a molecular weight of 171.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 89419659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).