3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline

C12H9FN4O — CID 104732171

IUPAC3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1ccc(Oc2nccn3nccc23)c(F)c1
InChIInChI=1S/C12H9FN4O/c13-9-7-8(14)1-2-11(9)18-12-10-3-4-16-17(10)6-5-15-12/h1-7H,14H2
InChIKeyHNLKIXRVHRKVSH-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.24
Rot. Bonds2

About 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline

3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (PubChem CID 104732171) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
PubChem CID104732171
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1ccc(Oc2nccn3nccc23)c(F)c1
InChIInChI=1S/C12H9FN4O/c13-9-7-8(14)1-2-11(9)18-12-10-3-4-16-17(10)6-5-15-12/h1-7H,14H2
InChIKeyHNLKIXRVHRKVSH-UHFFFAOYSA-N
XLogP2.24
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.24
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

CID 25072633
CID 25072633
CID 146293510
CID 146293510
CID 24824062
CID 24824062
CID 76286902
CID 76286902
CID 10247561
CID 10247561
CID 24824063
CID 24824063
CID 118197615
CID 118197615
CID 118203802
CID 118203802
CID 118203855
CID 118203855
CID 118203915
CID 118203915
CID 118430568
CID 118430568
CID 118430605
CID 118430605

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The IUPAC name of 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (CID 104732171) is 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.
What is the SMILES notation for 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The canonical SMILES for 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is Nc1ccc(Oc2nccn3nccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The InChIKey is HNLKIXRVHRKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c13-9-7-8(14)1-2-11(9)18-12-10-3-4-16-17(10)6-5-15-12/h1-7H,14H2.
What are the key properties of 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline has a molecular weight of 244.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is sourced from PubChem (CID 104732171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).