[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone

C22H22FN3O3 — CID 70195581

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O3/c23-18-6-4-16(5-7-18)21-20(15-24-25-21)22(27)17-2-1-3-19(14-17)29-13-10-26-8-11-28-12-9-26/h1-7,14-15H,8-13H2,(H,24,25)
InChIKeyXOTMLCCFJUGMSZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.16
Rot. Bonds7

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone (PubChem CID 70195581) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
PubChem CID70195581
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O3/c23-18-6-4-16(5-7-18)21-20(15-24-25-21)22(27)17-2-1-3-19(14-17)29-13-10-26-8-11-28-12-9-26/h1-7,14-15H,8-13H2,(H,24,25)
InChIKeyXOTMLCCFJUGMSZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60590298
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124946567
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 24620569
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine
CID 146669595
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
3-[2-(1,4-oxazepan-4-yl)ethoxy]benzenecarbothioamide
CID 62988863
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone (CID 70195581) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone is O=C(c1cccc(OCCN2CCOCC2)c1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The InChIKey is XOTMLCCFJUGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-6-4-16(5-7-18)21-20(15-24-25-21)22(27)17-2-1-3-19(14-17)29-13-10-26-8-11-28-12-9-26/h1-7,14-15H,8-13H2,(H,24,25).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone is sourced from PubChem (CID 70195581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).