3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline

C10H9F2N3O — CID 116792425

IUPAC3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2c(N)ccc(F)c2F)cn1
InChIInChI=1S/C10H9F2N3O/c1-15-5-6(4-14-15)16-10-8(13)3-2-7(11)9(10)12/h2-5H,13H2,1H3
InChIKeyXLLKBAWGGMOCDN-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.07
Rot. Bonds2

About 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline

3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 116792425) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID116792425
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2c(N)ccc(F)c2F)cn1
InChIInChI=1S/C10H9F2N3O/c1-15-5-6(4-14-15)16-10-8(13)3-2-7(11)9(10)12/h2-5H,13H2,1H3
InChIKeyXLLKBAWGGMOCDN-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.07
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

4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
3,4-difluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]aniline
CID 106596732
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 106891061
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107105999
2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
CID 62533029
2-ethoxy-3,4-difluoroaniline
CID 22118017
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline (CID 116792425) is 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline is Cn1cc(Oc2c(N)ccc(F)c2F)cn1.
What is the InChIKey of 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is XLLKBAWGGMOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-5-6(4-14-15)16-10-8(13)3-2-7(11)9(10)12/h2-5H,13H2,1H3.
What are the key properties of 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline?
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 225.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116792425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).