2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone

C25H30FN5O3 — CID 139222423

IUPAC2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone
SMILESO=C(C(Nc1ccc(C2=NNC(c3ccc(F)cc3)C2)cc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C25H30FN5O3/c26-20-5-1-18(2-6-20)22-17-23(29-28-22)19-3-7-21(8-4-19)27-24(30-9-13-33-14-10-30)25(32)31-11-15-34-16-12-31/h1-8,22,24,27-28H,9-17H2
InChIKeyMRETVMZKXLZABH-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.19
Rot. Bonds6

About 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone

2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone (PubChem CID 139222423) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone
PubChem CID139222423
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC Name2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone
SMILESO=C(C(Nc1ccc(C2=NNC(c3ccc(F)cc3)C2)cc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C25H30FN5O3/c26-20-5-1-18(2-6-20)22-17-23(29-28-22)19-3-7-21(8-4-19)27-24(30-9-13-33-14-10-30)25(32)31-11-15-34-16-12-31/h1-8,22,24,27-28H,9-17H2
InChIKeyMRETVMZKXLZABH-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(4-morpholin-4-yl-3-trifluoromethyl-phenyl)-ethyl]-acetamide
CID 44347950
2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(4-morpholin-4-yl-phenyl)-ethyl]-acetamide
CID 44347973
1-(2-fluorophenyl)-3-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 16125254
2-[3-[(4-fluorophenyl)carbamoylamino]-5-(morpholin-4-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-methyl-N-phenylacetamide
CID 44211903
2-(4-(5-(p-Fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenylamino)-1,2-di(piperidin-1-yl)ethanone
CID 139222425
2-[4-[(5S)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-di(piperidin-1-yl)ethanone
CID 139222437
2-[4-[(5S)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone
CID 139222440
2-anilino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9714334
2-{3-[(4-Fluorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-{[4-(morpholin-4-YL)phenyl]methyl}acetamide
CID 87049875
2-{3-[(2-Fluorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-{[4-(morpholin-4-YL)phenyl]methyl}acetamide
CID 87049926
1-[3-[[3-(4-Fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 16746689
4-(N-(2-morpholin-4-ylacetyl)anilino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 44217854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone (CID 139222423) is 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone is O=C(C(Nc1ccc(C2=NNC(c3ccc(F)cc3)C2)cc1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone?
The InChIKey is MRETVMZKXLZABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c26-20-5-1-18(2-6-20)22-17-23(29-28-22)19-3-7-21(8-4-19)27-24(30-9-13-33-14-10-30)25(32)31-11-15-34-16-12-31/h1-8,22,24,27-28H,9-17H2.
What are the key properties of 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone?
2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone has a molecular weight of 467.55 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]anilino]-1,2-dimorpholin-4-ylethanone is sourced from PubChem (CID 139222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).