4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine

C19H25FN4O — CID 124621709

IUPAC4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine
SMILESFc1ccc(Cn2cc(CN3CC[C@H](N4CCOCC4)C3)cn2)cc1
InChIInChI=1S/C19H25FN4O/c20-18-3-1-16(2-4-18)13-24-14-17(11-21-24)12-22-6-5-19(15-22)23-7-9-25-10-8-23/h1-4,11,14,19H,5-10,12-13,15H2/t19-/m0/s1
InChIKeyNJFGROJPVWWODW-IBGZPJMESA-N
MW344.43 g/mol
LogP1.98
Rot. Bonds5

About 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine

4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine (PubChem CID 124621709) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine
PubChem CID124621709
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine
SMILESFc1ccc(Cn2cc(CN3CC[C@H](N4CCOCC4)C3)cn2)cc1
InChIInChI=1S/C19H25FN4O/c20-18-3-1-16(2-4-18)13-24-14-17(11-21-24)12-22-6-5-19(15-22)23-7-9-25-10-8-23/h1-4,11,14,19H,5-10,12-13,15H2/t19-/m0/s1
InChIKeyNJFGROJPVWWODW-IBGZPJMESA-N
XLogP1.98
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine with MolForge

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Related Compounds

N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydrofuran-3-amine
CID 16189951
(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 30936167
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 50962738
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53557621

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine (CID 124621709) is 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine is Fc1ccc(Cn2cc(CN3CC[C@H](N4CCOCC4)C3)cn2)cc1.
What is the InChIKey of 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine?
The InChIKey is NJFGROJPVWWODW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25FN4O/c20-18-3-1-16(2-4-18)13-24-14-17(11-21-24)12-22-6-5-19(15-22)23-7-9-25-10-8-23/h1-4,11,14,19H,5-10,12-13,15H2/t19-/m0/s1.
What are the key properties of 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine?
4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine has a molecular weight of 344.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 124621709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).