(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine

C17H22ClN3O — CID 95549316

IUPAC(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1cnn(CCCN2CCO[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H22ClN3O/c1-14-11-19-21(12-14)8-2-7-20-9-10-22-17(13-20)15-3-5-16(18)6-4-15/h3-6,11-12,17H,2,7-10,13H2,1H3/t17-/m0/s1
InChIKeyXRESPZNKSYMWKU-KRWDZBQOSA-N
MW319.84 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine

(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine (PubChem CID 95549316) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
PubChem CID95549316
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1cnn(CCCN2CCO[C@H](c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C17H22ClN3O/c1-14-11-19-21(12-14)8-2-7-20-9-10-22-17(13-20)15-3-5-16(18)6-4-15/h3-6,11-12,17H,2,7-10,13H2,1H3/t17-/m0/s1
InChIKeyXRESPZNKSYMWKU-KRWDZBQOSA-N
XLogP3.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529535
4-(2-Benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
4-[(4-Chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529676
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190230
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
1-[1-Tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxyethyl]pyrazole
CID 46230901
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(2-Chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 72043959
4-[(4-Chloro-3-fluorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 84594023
(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperidine
CID 164611678
2-(4-chlorophenyl)-4-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]morpholine
CID 56746878
4-(4-Chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole
CID 4063254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine (CID 95549316) is (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine is Cc1cnn(CCCN2CCO[C@H](c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine?
The InChIKey is XRESPZNKSYMWKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-14-11-19-21(12-14)8-2-7-20-9-10-22-17(13-20)15-3-5-16(18)6-4-15/h3-6,11-12,17H,2,7-10,13H2,1H3/t17-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine?
(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine has a molecular weight of 319.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine is sourced from PubChem (CID 95549316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).