(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine

C18H23Cl2N3O — CID 95557665

IUPAC(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
SMILESCCCn1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C
InChIInChI=1S/C18H23Cl2N3O/c1-3-6-23-13(2)15(10-21-23)11-22-7-8-24-18(12-22)14-4-5-16(19)17(20)9-14/h4-5,9-10,18H,3,6-8,11-12H2,1-2H3/t18-/m1/s1
InChIKeyFULDGXRMQFDSDD-GOSISDBHSA-N
MW368.31 g/mol
LogP4.48
Rot. Bonds5

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

(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine (PubChem CID 95557665) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
PubChem CID95557665
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
SMILESCCCn1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C
InChIInChI=1S/C18H23Cl2N3O/c1-3-6-23-13(2)15(10-21-23)11-22-7-8-24-18(12-22)14-4-5-16(19)17(20)9-14/h4-5,9-10,18H,3,6-8,11-12H2,1-2H3/t18-/m1/s1
InChIKeyFULDGXRMQFDSDD-GOSISDBHSA-N
XLogP4.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine (CID 95557665) is (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine is CCCn1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
The InChIKey is FULDGXRMQFDSDD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-3-6-23-13(2)15(10-21-23)11-22-7-8-24-18(12-22)14-4-5-16(19)17(20)9-14/h4-5,9-10,18H,3,6-8,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine?
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine has a molecular weight of 368.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 95557665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).