2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine

C13H14FN3O — CID 141260761

IUPAC2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine
SMILESFc1ccc(-c2cc(C3CNCCO3)[nH]n2)cc1
InChIInChI=1S/C13H14FN3O/c14-10-3-1-9(2-4-10)11-7-12(17-16-11)13-8-15-5-6-18-13/h1-4,7,13,15H,5-6,8H2,(H,16,17)
InChIKeyOTPGRBOZQQESKX-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.88
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine

2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine (PubChem CID 141260761) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine
PubChem CID141260761
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine
SMILESFc1ccc(-c2cc(C3CNCCO3)[nH]n2)cc1
InChIInChI=1S/C13H14FN3O/c14-10-3-1-9(2-4-10)11-7-12(17-16-11)13-8-15-5-6-18-13/h1-4,7,13,15H,5-6,8H2,(H,16,17)
InChIKeyOTPGRBOZQQESKX-UHFFFAOYSA-N
XLogP1.88
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzonitrile
CID 71656527
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 67438408
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 45201512
1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 50962921
N-[(2S*,4R*,6S*)-2-benzyl-6-(5-tert-butyl-1H-pyrazol-3-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50970864
(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 95127174
{[3-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}({[(2R,3S)-2-phenyloxolan-3-yl]methyl})amine
CID 126769574
3-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345342
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345352
1-[4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
CID 67991960
4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
CID 67991968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine (CID 141260761) is 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine is Fc1ccc(-c2cc(C3CNCCO3)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine?
The InChIKey is OTPGRBOZQQESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-3-1-9(2-4-10)11-7-12(17-16-11)13-8-15-5-6-18-13/h1-4,7,13,15H,5-6,8H2,(H,16,17).
What are the key properties of 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine?
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine has a molecular weight of 247.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine is sourced from PubChem (CID 141260761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).