[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C16H17Cl2N3O3 — CID 71804699

IUPAC[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O3/c1-20-8-13(15(19-20)23-2)16(22)21-3-4-24-14(9-21)10-5-11(17)7-12(18)6-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyLGFOEBTWLKPEJA-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.95
Rot. Bonds3

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

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 71804699) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID71804699
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O3/c1-20-8-13(15(19-20)23-2)16(22)21-3-4-24-14(9-21)10-5-11(17)7-12(18)6-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyLGFOEBTWLKPEJA-UHFFFAOYSA-N
XLogP2.95
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 71804699) is [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is LGFOEBTWLKPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-20-8-13(15(19-20)23-2)16(22)21-3-4-24-14(9-21)10-5-11(17)7-12(18)6-10/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 370.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71804699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).