4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline

C19H20FN3O — CID 44547509

IUPAC4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3OCCF)[nH]n2)cc1
InChIInChI=1S/C19H20FN3O/c1-23(2)15-9-7-14(8-10-15)17-13-18(22-21-17)16-5-3-4-6-19(16)24-12-11-20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyWJOCTFDWFSKDMW-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.16
Rot. Bonds6

About 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline

4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline (PubChem CID 44547509) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline
PubChem CID44547509
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3OCCF)[nH]n2)cc1
InChIInChI=1S/C19H20FN3O/c1-23(2)15-9-7-14(8-10-15)17-13-18(22-21-17)16-5-3-4-6-19(16)24-12-11-20/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyWJOCTFDWFSKDMW-UHFFFAOYSA-N
XLogP4.16
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline (CID 44547509) is 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3ccccc3OCCF)[nH]n2)cc1.
What is the InChIKey of 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline?
The InChIKey is WJOCTFDWFSKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23(2)15-9-7-14(8-10-15)17-13-18(22-21-17)16-5-3-4-6-19(16)24-12-11-20/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline?
4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline has a molecular weight of 325.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 44547509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).