[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone

C15H16FN3O2 — CID 71873952

IUPAC[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2ccn[nH]2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H16FN3O2/c1-10-8-19(15(20)13-6-7-17-18-13)9-14(21-10)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyMBYDHMDCCWZEIM-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.15
Rot. Bonds2

About [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone

[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 71873952) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID71873952
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2ccn[nH]2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H16FN3O2/c1-10-8-19(15(20)13-6-7-17-18-13)9-14(21-10)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)
InChIKeyMBYDHMDCCWZEIM-UHFFFAOYSA-N
XLogP2.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ralmitaront
CID 130429734
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087629
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087643
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 56792444
2-(4-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 45178237
ethyl 4-[(2-benzylmorpholin-4-yl)methyl]-1H-pyrazole-5-carboxylate
CID 45180863
ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate
CID 45225589
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
ethyl 4-({3-[benzyl(methyl)amino]-1-piperidinyl}methyl)-1H-pyrazole-3-carboxylate
CID 45597018
N-[[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 51097834
(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53150656
(1-ethyl-1H-pyrazol-5-yl)(4-{2-[(3-fluorobenzyl)oxy]ethyl}piperidino)methanone
CID 53150657

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 71873952) is [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone is CC1CN(C(=O)c2ccn[nH]2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is MBYDHMDCCWZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-8-19(15(20)13-6-7-17-18-13)9-14(21-10)11-2-4-12(16)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71873952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).