2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

C15H19Cl2N3O — CID 114649071

IUPAC2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-3-7-20-15(14(21-2)9-19-20)13(18)8-10-11(16)5-4-6-12(10)17/h4-6,9,13H,3,7-8,18H2,1-2H3
InChIKeyKJTRTSUAXBNMTL-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.85
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (PubChem CID 114649071) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
PubChem CID114649071
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-3-7-20-15(14(21-2)9-19-20)13(18)8-10-11(16)5-4-6-12(10)17/h4-6,9,13H,3,7-8,18H2,1-2H3
InChIKeyKJTRTSUAXBNMTL-UHFFFAOYSA-N
XLogP3.85
TPSA53.07 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114656350
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105048844
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (CID 114649071) is 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(OC)c1C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is KJTRTSUAXBNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-7-20-15(14(21-2)9-19-20)13(18)8-10-11(16)5-4-6-12(10)17/h4-6,9,13H,3,7-8,18H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 328.24 g/mol, XLogP of 3.85, 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-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114649071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).