[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C18H21Cl2N3O2 — CID 56757209

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1
InChIInChI=1S/C18H21Cl2N3O2/c1-3-4-13-10-16(22(2)21-13)18(24)23-7-8-25-17(11-23)12-5-6-14(19)15(20)9-12/h5-6,9-10,17H,3-4,7-8,11H2,1-2H3
InChIKeyXQROAOAXADIVJM-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.89
Rot. Bonds4

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 56757209) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID56757209
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1
InChIInChI=1S/C18H21Cl2N3O2/c1-3-4-13-10-16(22(2)21-13)18(24)23-7-8-25-17(11-23)12-5-6-14(19)15(20)9-12/h5-6,9-10,17H,3-4,7-8,11H2,1-2H3
InChIKeyXQROAOAXADIVJM-UHFFFAOYSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110105248

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 56757209) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n(C)n1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is XQROAOAXADIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-3-4-13-10-16(22(2)21-13)18(24)23-7-8-25-17(11-23)12-5-6-14(19)15(20)9-12/h5-6,9-10,17H,3-4,7-8,11H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 382.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 56757209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).