2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

C15H19Cl2N3O — CID 114649074

IUPAC2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1c(Cl)cccc1Cl)NC
InChIInChI=1S/C15H19Cl2N3O/c1-4-20-15(14(21-3)9-19-20)13(18-2)8-10-11(16)6-5-7-12(10)17/h5-7,9,13,18H,4,8H2,1-3H3
InChIKeyYRPFAMPDDMOAOZ-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.72
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (PubChem CID 114649074) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
PubChem CID114649074
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1c(Cl)cccc1Cl)NC
InChIInChI=1S/C15H19Cl2N3O/c1-4-20-15(14(21-3)9-19-20)13(18-2)8-10-11(16)6-5-7-12(10)17/h5-7,9,13,18H,4,8H2,1-3H3
InChIKeyYRPFAMPDDMOAOZ-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (CID 114649074) is 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is CCn1ncc(OC)c1C(Cc1c(Cl)cccc1Cl)NC.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The InChIKey is YRPFAMPDDMOAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-4-20-15(14(21-3)9-19-20)13(18-2)8-10-11(16)6-5-7-12(10)17/h5-7,9,13,18H,4,8H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine has a molecular weight of 328.24 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114649074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).