methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate

C17H18ClN3O4 — CID 95217867

IUPACmethyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n(C)n1
InChIInChI=1S/C17H18ClN3O4/c1-20-14(9-13(19-20)17(23)24-2)16(22)21-7-8-25-15(10-21)11-3-5-12(18)6-4-11/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyNALFRPMMZQNIRP-HNNXBMFYSA-N
MW363.80 g/mol
LogP2.07
Rot. Bonds3

About methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate

methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate (PubChem CID 95217867) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
PubChem CID95217867
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Namemethyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n(C)n1
InChIInChI=1S/C17H18ClN3O4/c1-20-14(9-13(19-20)17(23)24-2)16(22)21-7-8-25-15(10-21)11-3-5-12(18)6-4-11/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyNALFRPMMZQNIRP-HNNXBMFYSA-N
XLogP2.07
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
methyl 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-5-nitrobenzoate
CID 55947888
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 56757209
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
CID 95208918
[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide
CID 95212571
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate (CID 95217867) is methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate is COC(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n(C)n1.
What is the InChIKey of methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate?
The InChIKey is NALFRPMMZQNIRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20-14(9-13(19-20)17(23)24-2)16(22)21-7-8-25-15(10-21)11-3-5-12(18)6-4-11/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate?
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate has a molecular weight of 363.80 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 95217867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).