3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline

C15H13FN4O — CID 59322769

IUPAC3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESCn1cc(-c2cc(Oc3ccc(N)cc3F)ccn2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-19-20)14-7-12(4-5-18-14)21-15-3-2-11(17)6-13(15)16/h2-9H,17H2,1H3
InChIKeyKLLMSGLHWUJAAQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.00
Rot. Bonds3

About 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline

3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline (PubChem CID 59322769) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
PubChem CID59322769
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESCn1cc(-c2cc(Oc3ccc(N)cc3F)ccn2)cn1
InChIInChI=1S/C15H13FN4O/c1-20-9-10(8-19-20)14-7-12(4-5-18-14)21-15-3-2-11(17)6-13(15)16/h2-9H,17H2,1H3
InChIKeyKLLMSGLHWUJAAQ-UHFFFAOYSA-N
XLogP3.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
6-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179488
5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179532
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
N-[[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 45378043
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
3-(4-fluorophenyl)-N-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138597
3-[[4-[4-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 10247561
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16187264
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The IUPAC name of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline (CID 59322769) is 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The canonical SMILES for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline is Cn1cc(-c2cc(Oc3ccc(N)cc3F)ccn2)cn1.
What is the InChIKey of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The InChIKey is KLLMSGLHWUJAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-9-10(8-19-20)14-7-12(4-5-18-14)21-15-3-2-11(17)6-13(15)16/h2-9H,17H2,1H3.
What are the key properties of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline?
3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 284.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 59322769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).