(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

C23H24ClF2N3O2 — CID 124997779

IUPAC(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
SMILESCn1nc([C@H]2CN(Cc3ccc(Cl)c(F)c3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C23H24ClF2N3O2/c1-28-17(8-10-30-22-5-3-2-4-19(22)25)13-21(27-28)23-15-29(9-11-31-23)14-16-6-7-18(24)20(26)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3/t23-/m1/s1
InChIKeyRCXANDUOXYSCMP-HSZRJFAPSA-N
MW447.91 g/mol
LogP4.55
Rot. Bonds7

About (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine (PubChem CID 124997779) has the molecular formula C23H24ClF2N3O2 and a molecular weight of 447.91 g/mol. Its IUPAC name is (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
PubChem CID124997779
Molecular FormulaC23H24ClF2N3O2
Molecular Weight447.91 g/mol
Exact Mass447.15
IUPAC Name(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
SMILESCn1nc([C@H]2CN(Cc3ccc(Cl)c(F)c3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C23H24ClF2N3O2/c1-28-17(8-10-30-22-5-3-2-4-19(22)25)13-21(27-28)23-15-29(9-11-31-23)14-16-6-7-18(24)20(26)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3/t23-/m1/s1
InChIKeyRCXANDUOXYSCMP-HSZRJFAPSA-N
XLogP4.55
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine with MolForge

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Related Compounds

2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 127248609
(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 124947170
6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one
CID 127248594
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 127248576
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980222
(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980221
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine (CID 124997779) is (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine is Cn1nc([C@H]2CN(Cc3ccc(Cl)c(F)c3)CCO2)cc1CCOc1ccccc1F.
What is the InChIKey of (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
The InChIKey is RCXANDUOXYSCMP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24ClF2N3O2/c1-28-17(8-10-30-22-5-3-2-4-19(22)25)13-21(27-28)23-15-29(9-11-31-23)14-16-6-7-18(24)20(26)12-16/h2-7,12-13,23H,8-11,14-15H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine?
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine has a molecular weight of 447.91 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine is sourced from PubChem (CID 124997779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).