2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine

C23H29N3O2 — CID 171833567

IUPAC2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
SMILESCc1n[nH]c(C)c1CCOc1ccccc1-c1cccc(OCCN(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-17-21(18(2)25-24-17)12-14-28-23-11-6-5-10-22(23)19-8-7-9-20(16-19)27-15-13-26(3)4/h5-11,16H,12-15H2,1-4H3,(H,24,25)
InChIKeySQROOOPUWSAALT-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.26
Rot. Bonds9

About 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine

2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 171833567) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
PubChem CID171833567
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
SMILESCc1n[nH]c(C)c1CCOc1ccccc1-c1cccc(OCCN(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-17-21(18(2)25-24-17)12-14-28-23-11-6-5-10-22(23)19-8-7-9-20(16-19)27-15-13-26(3)4/h5-11,16H,12-15H2,1-4H3,(H,24,25)
InChIKeySQROOOPUWSAALT-UHFFFAOYSA-N
XLogP4.26
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine (CID 171833567) is 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine is Cc1n[nH]c(C)c1CCOc1ccccc1-c1cccc(OCCN(C)C)c1.
What is the InChIKey of 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is SQROOOPUWSAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-21(18(2)25-24-17)12-14-28-23-11-6-5-10-22(23)19-8-7-9-20(16-19)27-15-13-26(3)4/h5-11,16H,12-15H2,1-4H3,(H,24,25).
What are the key properties of 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine?
2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 379.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 171833567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).