(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

C24H29N3O3 — CID 124973703

IUPAC(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
SMILESCOc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1
InChIInChI=1S/C24H29N3O3/c1-18-8-9-19(23(14-18)28-2)16-27-11-13-30-24(17-27)22-15-20(25-26-22)10-12-29-21-6-4-3-5-7-21/h3-9,14-15,24H,10-13,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyKLWNBJRTUFVZAY-XMMPIXPASA-N
MW407.51 g/mol
LogP3.92
Rot. Bonds8

About (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine (PubChem CID 124973703) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
PubChem CID124973703
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
SMILESCOc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1
InChIInChI=1S/C24H29N3O3/c1-18-8-9-19(23(14-18)28-2)16-27-11-13-30-24(17-27)22-15-20(25-26-22)10-12-29-21-6-4-3-5-7-21/h3-9,14-15,24H,10-13,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyKLWNBJRTUFVZAY-XMMPIXPASA-N
XLogP3.92
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 127250781
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 124945699
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine (CID 124973703) is (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine is COc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1.
What is the InChIKey of (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is KLWNBJRTUFVZAY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-8-9-19(23(14-18)28-2)16-27-11-13-30-24(17-27)22-15-20(25-26-22)10-12-29-21-6-4-3-5-7-21/h3-9,14-15,24H,10-13,16-17H2,1-2H3,(H,25,26)/t24-/m1/s1.
What are the key properties of (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine?
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 407.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 124973703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).