[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

C14H14FN3O2 — CID 60958921

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)13-9-18(5-6-20-13)14(19)11-7-16-17-8-11/h1-4,7-8,13H,5-6,9H2,(H,16,17)
InChIKeyZTTQOUFZHLBQCF-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.76
Rot. Bonds2

About [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 60958921) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID60958921
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)13-9-18(5-6-20-13)14(19)11-7-16-17-8-11/h1-4,7-8,13H,5-6,9H2,(H,16,17)
InChIKeyZTTQOUFZHLBQCF-UHFFFAOYSA-N
XLogP1.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 81210941
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 60958921) is [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is ZTTQOUFZHLBQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)13-9-18(5-6-20-13)14(19)11-7-16-17-8-11/h1-4,7-8,13H,5-6,9H2,(H,16,17).
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 275.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 60958921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).