3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline

C10H10FN3O — CID 116792351

IUPAC3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2ccc(N)cc2F)cn1
InChIInChI=1S/C10H10FN3O/c1-14-6-8(5-13-14)15-10-3-2-7(12)4-9(10)11/h2-6H,12H2,1H3
InChIKeyQEVMRGCGNBUHNM-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.93
Rot. Bonds2

About 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline

3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 116792351) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID116792351
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2ccc(N)cc2F)cn1
InChIInChI=1S/C10H10FN3O/c1-14-6-8(5-13-14)15-10-3-2-7(12)4-9(10)11/h2-6H,12H2,1H3
InChIKeyQEVMRGCGNBUHNM-UHFFFAOYSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.93
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-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
3-fluoro-4-(2-methylindazol-6-yl)oxyaniline
CID 166543843
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
5-(4-amino-2-fluorophenoxy)pyridin-3-ol
CID 143108339
2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
CID 116792483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline (CID 116792351) is 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline is Cn1cc(Oc2ccc(N)cc2F)cn1.
What is the InChIKey of 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is QEVMRGCGNBUHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14-6-8(5-13-14)15-10-3-2-7(12)4-9(10)11/h2-6H,12H2,1H3.
What are the key properties of 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline?
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 207.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116792351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).