3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

C17H17FN4O — CID 71967975

IUPAC3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESFCCOc1cccc(NCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C17H17FN4O/c18-6-8-23-16-5-1-4-15(9-16)20-11-14-12-21-22-17(14)13-3-2-7-19-10-13/h1-5,7,9-10,12,20H,6,8,11H2,(H,21,22)
InChIKeyUWXPQXMNBDTMEF-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.43
Rot. Bonds7

About 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 71967975) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID71967975
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESFCCOc1cccc(NCc2cn[nH]c2-c2cccnc2)c1
InChIInChI=1S/C17H17FN4O/c18-6-8-23-16-5-1-4-15(9-16)20-11-14-12-21-22-17(14)13-3-2-7-19-10-13/h1-5,7,9-10,12,20H,6,8,11H2,(H,21,22)
InChIKeyUWXPQXMNBDTMEF-UHFFFAOYSA-N
XLogP3.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (CID 71967975) is 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is FCCOc1cccc(NCc2cn[nH]c2-c2cccnc2)c1.
What is the InChIKey of 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is UWXPQXMNBDTMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-6-8-23-16-5-1-4-15(9-16)20-11-14-12-21-22-17(14)13-3-2-7-19-10-13/h1-5,7,9-10,12,20H,6,8,11H2,(H,21,22).
What are the key properties of 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 312.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 71967975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).