[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

C15H16FN3O2 — CID 45208368

IUPAC[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-2-11(6-13)7-14-10-19(4-5-21-14)15(20)12-8-17-18-9-12/h1-3,6,8-9,14H,4-5,7,10H2,(H,17,18)
InChIKeyYJPZSEWEDNUZQP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.63
Rot. Bonds3

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

[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 45208368) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID45208368
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O2/c16-13-3-1-2-11(6-13)7-14-10-19(4-5-21-14)15(20)12-8-17-18-9-12/h1-3,6,8-9,14H,4-5,7,10H2,(H,17,18)
InChIKeyYJPZSEWEDNUZQP-UHFFFAOYSA-N
XLogP1.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine
CID 45235080
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
(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45201990
3-[2-(2-fluorophenyl)ethyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine
CID 45226315
4-[3-(1H-pyrazol-4-yl)propanoyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45238895
5-(3-fluorophenyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56714444
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56862206

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 45208368) is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is YJPZSEWEDNUZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-3-1-2-11(6-13)7-14-10-19(4-5-21-14)15(20)12-8-17-18-9-12/h1-3,6,8-9,14H,4-5,7,10H2,(H,17,18).
What are the key properties of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 45208368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).