1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one

C18H22FN3O2 — CID 56862206

IUPAC1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESO=C(CCCc1cn[nH]c1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)10-17-13-22(8-9-24-17)18(23)3-1-2-15-11-20-21-12-15/h4-7,11-12,17H,1-3,8-10,13H2,(H,20,21)
InChIKeyGBQDXQVCJIICLB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one (PubChem CID 56862206) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
PubChem CID56862206
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESO=C(CCCc1cn[nH]c1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)10-17-13-22(8-9-24-17)18(23)3-1-2-15-11-20-21-12-15/h4-7,11-12,17H,1-3,8-10,13H2,(H,20,21)
InChIKeyGBQDXQVCJIICLB-UHFFFAOYSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56879396
4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]-2-(4-fluorobenzyl)morpholine
CID 45209998
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
2-benzyl-4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]morpholine
CID 45234451
3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 28309477
1-[(3S)-3-phenylmethoxypiperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 28375762
[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 42188970
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 42565145
1H-pyrazol-4-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45191897
3-[2-(3-fluorophenyl)ethyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine
CID 45198765
2-(3-fluorobenzyl)-4-(1H-pyrazol-4-ylcarbonyl)morpholine
CID 45208368
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45216048

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one (CID 56862206) is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one is O=C(CCCc1cn[nH]c1)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The InChIKey is GBQDXQVCJIICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-16-6-4-14(5-7-16)10-17-13-22(8-9-24-17)18(23)3-1-2-15-11-20-21-12-15/h4-7,11-12,17H,1-3,8-10,13H2,(H,20,21).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one is sourced from PubChem (CID 56862206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).