3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline

C12H14FN3O — CID 116800410

IUPAC3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
SMILESCCCn1cc(Oc2cc(N)cc(F)c2)cn1
InChIInChI=1S/C12H14FN3O/c1-2-3-16-8-12(7-15-16)17-11-5-9(13)4-10(14)6-11/h4-8H,2-3,14H2,1H3
InChIKeyDCMQQDIOKZEMAX-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.81
Rot. Bonds4

About 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline

3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline (PubChem CID 116800410) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
PubChem CID116800410
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
SMILESCCCn1cc(Oc2cc(N)cc(F)c2)cn1
InChIInChI=1S/C12H14FN3O/c1-2-3-16-8-12(7-15-16)17-11-5-9(13)4-10(14)6-11/h4-8H,2-3,14H2,1H3
InChIKeyDCMQQDIOKZEMAX-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-5-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533561
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
CID 116801056
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 107198187
[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline?
The IUPAC name of 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline (CID 116800410) is 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline is CCCn1cc(Oc2cc(N)cc(F)c2)cn1.
What is the InChIKey of 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline?
The InChIKey is DCMQQDIOKZEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-3-16-8-12(7-15-16)17-11-5-9(13)4-10(14)6-11/h4-8H,2-3,14H2,1H3.
What are the key properties of 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline?
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline has a molecular weight of 235.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116800410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).