2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine

C16H20FN3O — CID 45201512

IUPAC2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine
SMILESCc1cc(CN2CCOC(Cc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-12-8-15(19-18-12)10-20-6-7-21-16(11-20)9-13-2-4-14(17)5-3-13/h2-5,8,16H,6-7,9-11H2,1H3,(H,18,19)
InChIKeySNALIONAEIXEIP-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine

2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine (PubChem CID 45201512) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine
PubChem CID45201512
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine
SMILESCc1cc(CN2CCOC(Cc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-12-8-15(19-18-12)10-20-6-7-21-16(11-20)9-13-2-4-14(17)5-3-13/h2-5,8,16H,6-7,9-11H2,1H3,(H,18,19)
InChIKeySNALIONAEIXEIP-UHFFFAOYSA-N
XLogP2.30
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{4-benzyl-1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanol
CID 16190266
2-{1-(4-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 16190340
{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16187625
4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]-2-(4-fluorobenzyl)morpholine
CID 45209998
2-benzyl-4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]morpholine
CID 45234451
1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104386
1-(3-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104527
1-(2-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 51104540
4-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]morpholine
CID 53193284
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-phenylethyl)morpholine
CID 56877602
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone
CID 75470380
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 75470393

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine (CID 45201512) is 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine is Cc1cc(CN2CCOC(Cc3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine?
The InChIKey is SNALIONAEIXEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12-8-15(19-18-12)10-20-6-7-21-16(11-20)9-13-2-4-14(17)5-3-13/h2-5,8,16H,6-7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine?
2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine has a molecular weight of 289.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 45201512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).