3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

C14H11FN4O — CID 141266815

IUPAC3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESFc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1
InChIInChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18)
InChIKeyHREQQLCPRCDMSP-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline

3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (PubChem CID 141266815) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
PubChem CID141266815
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
SMILESFc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1
InChIInChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18)
InChIKeyHREQQLCPRCDMSP-UHFFFAOYSA-N
XLogP3.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-3-[4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69297749
N-(3-fluorophenoxy)aniline
CID 141068441
1-[3-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66729025
1-[2-fluoro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-morpholin-4-ylphenyl)urea
CID 66729307
1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]urea
CID 66729329
1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66729335
1-[2-fluoro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]urea
CID 66728991
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
1-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 90083412
3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 122515866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The IUPAC name of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline (CID 141266815) is 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The canonical SMILES for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is Fc1cccc(NOc2ccnc(-c3cn[nH]c3)c2)c1.
What is the InChIKey of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
The InChIKey is HREQQLCPRCDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-2-1-3-12(6-11)19-20-13-4-5-16-14(7-13)10-8-17-18-9-10/h1-9,19H,(H,17,18).
What are the key properties of 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline?
3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline has a molecular weight of 270.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 141266815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).