3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine

C18H16Cl3N3O — CID 175988325

IUPAC3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1[C@@H](Cc1cccnc1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O/c1-24-18(16(21)10-23-24)17(7-12-3-2-6-22-9-12)25-11-13-4-5-14(19)8-15(13)20/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1
InChIKeyJJGRMQCBHOJZMQ-QGZVFWFLSA-N
MW396.71 g/mol
LogP5.28
Rot. Bonds6

About 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine

3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine (PubChem CID 175988325) has the molecular formula C18H16Cl3N3O and a molecular weight of 396.71 g/mol. Its IUPAC name is 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine
PubChem CID175988325
Molecular FormulaC18H16Cl3N3O
Molecular Weight396.71 g/mol
Exact Mass395.04
IUPAC Name3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1[C@@H](Cc1cccnc1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl3N3O/c1-24-18(16(21)10-23-24)17(7-12-3-2-6-22-9-12)25-11-13-4-5-14(19)8-15(13)20/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1
InChIKeyJJGRMQCBHOJZMQ-QGZVFWFLSA-N
XLogP5.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
CID 170699040
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 112742305
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440
1-(4-chloro-2-fluorophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 114855478
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
CID 23624134
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129312296
3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine
CID 57301767
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine?
The IUPAC name of 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine (CID 175988325) is 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine.
What is the SMILES notation for 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine?
The canonical SMILES for 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine is Cn1ncc(Cl)c1[C@@H](Cc1cccnc1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine?
The InChIKey is JJGRMQCBHOJZMQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16Cl3N3O/c1-24-18(16(21)10-23-24)17(7-12-3-2-6-22-9-12)25-11-13-4-5-14(19)8-15(13)20/h2-6,8-10,17H,7,11H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine?
3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine has a molecular weight of 396.71 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-chloro-1-methylpyrazol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]pyridine is sourced from PubChem (CID 175988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).