4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline

C15H20FN3O — CID 114556079

IUPAC4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(OCC)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-3-9-19-13(7-8-18-19)11-17-12-5-6-15(20-4-2)14(16)10-12/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyCFQJOMQARINTSM-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.44
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline

4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114556079) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114556079
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccc(OCC)c(F)c1
InChIInChI=1S/C15H20FN3O/c1-3-9-19-13(7-8-18-19)11-17-12-5-6-15(20-4-2)14(16)10-12/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyCFQJOMQARINTSM-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
4-ethoxy-3-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743266
2-ethoxy-4-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555535
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
4-ethoxy-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115743252
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114556079) is 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccc(OCC)c(F)c1.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is CFQJOMQARINTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-9-19-13(7-8-18-19)11-17-12-5-6-15(20-4-2)14(16)10-12/h5-8,10,17H,3-4,9,11H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline?
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 277.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114556079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).