(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine

C15H19N3O — CID 124749992

IUPAC(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
SMILESc1ccc([C@H]2CN(CCc3cn[nH]c3)CCO2)cc1
InChIInChI=1S/C15H19N3O/c1-2-4-14(5-3-1)15-12-18(8-9-19-15)7-6-13-10-16-17-11-13/h1-5,10-11,15H,6-9,12H2,(H,16,17)/t15-/m1/s1
InChIKeyBWBSMUZCLHVBTM-OAHLLOKOSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine

(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine (PubChem CID 124749992) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
PubChem CID124749992
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
SMILESc1ccc([C@H]2CN(CCc3cn[nH]c3)CCO2)cc1
InChIInChI=1S/C15H19N3O/c1-2-4-14(5-3-1)15-12-18(8-9-19-15)7-6-13-10-16-17-11-13/h1-5,10-11,15H,6-9,12H2,(H,16,17)/t15-/m1/s1
InChIKeyBWBSMUZCLHVBTM-OAHLLOKOSA-N
XLogP2.03
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
CID 95553285
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
2-phenyl-N-[4-(2-phenylmorpholin-4-yl)butyl]ethanesulfonamide
CID 16892892
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine (CID 124749992) is (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine is c1ccc([C@H]2CN(CCc3cn[nH]c3)CCO2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine?
The InChIKey is BWBSMUZCLHVBTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-4-14(5-3-1)15-12-18(8-9-19-15)7-6-13-10-16-17-11-13/h1-5,10-11,15H,6-9,12H2,(H,16,17)/t15-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine?
(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine has a molecular weight of 257.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 124749992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).