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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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
3-Cyclobutyl-7-([5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10021441
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
1H-Pyrazolo[4,3-c]pyridine, 4-(cyclohexyloxy)-3-[(1E)-2-(1-Methyl-1H-pyrazol-4-yl)ethenyl]-
CID 56943105
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridine
CID 10295106
2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11495553
2-{4-[(2-chloroethyl)oxy]phenyl}-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11625025
1-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenoxy)propan-2-one
CID 11675099
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470

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).