1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine

C15H20ClN3O — CID 102999718

IUPAC1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H20ClN3O/c1-11(17-2)14-8-13(16)4-5-15(14)20-7-6-12-9-18-19(3)10-12/h4-5,8-11,17H,6-7H2,1-3H3
InChIKeyUDHGOCJJSGSQLB-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.98
Rot. Bonds6

About 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine

1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine (PubChem CID 102999718) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
PubChem CID102999718
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCc1cnn(C)c1
InChIInChI=1S/C15H20ClN3O/c1-11(17-2)14-8-13(16)4-5-15(14)20-7-6-12-9-18-19(3)10-12/h4-5,8-11,17H,6-7H2,1-3H3
InChIKeyUDHGOCJJSGSQLB-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 102999720
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine (CID 102999718) is 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCCc1cnn(C)c1.
What is the InChIKey of 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is UDHGOCJJSGSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11(17-2)14-8-13(16)4-5-15(14)20-7-6-12-9-18-19(3)10-12/h4-5,8-11,17H,6-7H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine?
1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 102999718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).