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

C22H27ClN6O3 — CID 124948203

IUPAC2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)n1
InChIInChI=1S/C22H27ClN6O3/c1-27-9-7-21(26-27)24-22(30)15-29-10-12-32-20(14-29)19-13-17(28(2)25-19)8-11-31-18-5-3-16(23)4-6-18/h3-7,9,13,20H,8,10-12,14-15H2,1-2H3,(H,24,26,30)/t20-/m1/s1
InChIKeyCLIAVDVMCMAPMZ-HXUWFJFHSA-N
MW458.95 g/mol
LogP2.44
Rot. Bonds8

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

2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 124948203) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID124948203
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC Name2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)n1
InChIInChI=1S/C22H27ClN6O3/c1-27-9-7-21(26-27)24-22(30)15-29-10-12-32-20(14-29)19-13-17(28(2)25-19)8-11-31-18-5-3-16(23)4-6-18/h3-7,9,13,20H,8,10-12,14-15H2,1-2H3,(H,24,26,30)/t20-/m1/s1
InChIKeyCLIAVDVMCMAPMZ-HXUWFJFHSA-N
XLogP2.44
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302
2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
N-[2-[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 124978380
(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 124947170
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-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
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-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756401
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 124948203) is 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)n1.
What is the InChIKey of 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is CLIAVDVMCMAPMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-27-9-7-21(26-27)24-22(30)15-29-10-12-32-20(14-29)19-13-17(28(2)25-19)8-11-31-18-5-3-16(23)4-6-18/h3-7,9,13,20H,8,10-12,14-15H2,1-2H3,(H,24,26,30)/t20-/m1/s1.
What are the key properties of 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 458.95 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 124948203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).