2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide

C18H21ClN4O3 — CID 95212571

IUPAC2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C18H21ClN4O3/c1-12-9-15(21-23(12)11-17(24)20-2)18(25)22-7-8-26-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyTUCJINSNCLOLQC-MRXNPFEDSA-N
MW376.84 g/mol
LogP1.80
Rot. Bonds4

About 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide

2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide (PubChem CID 95212571) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide
PubChem CID95212571
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C18H21ClN4O3/c1-12-9-15(21-23(12)11-17(24)20-2)18(25)22-7-8-26-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24)/t16-/m1/s1
InChIKeyTUCJINSNCLOLQC-MRXNPFEDSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 95215113
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide (CID 95212571) is 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C.
What is the InChIKey of 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is TUCJINSNCLOLQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-12-9-15(21-23(12)11-17(24)20-2)18(25)22-7-8-26-16(10-22)13-3-5-14(19)6-4-13/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide?
2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 376.84 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 95212571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).