[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone

C23H30ClN3O3 — CID 124941111

IUPAC[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone
SMILESCn1nc([C@H]2CN(C(=O)C3CCCCC3)CCO2)cc1CCOc1cccc(Cl)c1
InChIInChI=1S/C23H30ClN3O3/c1-26-19(10-12-29-20-9-5-8-18(24)14-20)15-21(25-26)22-16-27(11-13-30-22)23(28)17-6-3-2-4-7-17/h5,8-9,14-15,17,22H,2-4,6-7,10-13,16H2,1H3/t22-/m1/s1
InChIKeyAKWJJNMYRHNGDQ-JOCHJYFZSA-N
MW431.96 g/mol
LogP4.18
Rot. Bonds6

About [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone

[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone (PubChem CID 124941111) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone
PubChem CID124941111
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone
SMILESCn1nc([C@H]2CN(C(=O)C3CCCCC3)CCO2)cc1CCOc1cccc(Cl)c1
InChIInChI=1S/C23H30ClN3O3/c1-26-19(10-12-29-20-9-5-8-18(24)14-20)15-21(25-26)22-16-27(11-13-30-22)23(28)17-6-3-2-4-7-17/h5,8-9,14-15,17,22H,2-4,6-7,10-13,16H2,1H3/t22-/m1/s1
InChIKeyAKWJJNMYRHNGDQ-JOCHJYFZSA-N
XLogP4.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-propan-2-yloxyethanone
CID 125017732
(2S)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
N-[2-[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 124978380
2,2-dimethyl-1-[(2R)-2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]propan-1-one
CID 125027088
2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127250799
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone?
The IUPAC name of [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone (CID 124941111) is [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone.
What is the SMILES notation for [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone?
The canonical SMILES for [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone is Cn1nc([C@H]2CN(C(=O)C3CCCCC3)CCO2)cc1CCOc1cccc(Cl)c1.
What is the InChIKey of [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone?
The InChIKey is AKWJJNMYRHNGDQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-26-19(10-12-29-20-9-5-8-18(24)14-20)15-21(25-26)22-16-27(11-13-30-22)23(28)17-6-3-2-4-7-17/h5,8-9,14-15,17,22H,2-4,6-7,10-13,16H2,1H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone?
[(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone has a molecular weight of 431.96 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone is sourced from PubChem (CID 124941111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).