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

C12H10N4O — CID 104732148

IUPAC3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1cccc(Oc2nccn3nccc23)c1
InChIInChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H,13H2
InChIKeyQHPNYGCXBDQVEP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds2

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

3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (PubChem CID 104732148) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
PubChem CID104732148
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1cccc(Oc2nccn3nccc23)c1
InChIInChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H,13H2
InChIKeyQHPNYGCXBDQVEP-UHFFFAOYSA-N
XLogP2.10
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.10
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

4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730194
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732228
4-(4-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730206
3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 107718013
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
3-[(3-bromo-2-pyridinyl)oxy]aniline
CID 61372982
5-pyrazolo[1,5-a]pyrazin-4-yloxypyridine-3-carboxylic acid
CID 104733277
4-pyrazolo[1,5-a]pyrazin-4-yloxynaphthalen-1-amine
CID 104732206
3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
CID 118488441
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (CID 104732148) is 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is Nc1cccc(Oc2nccn3nccc23)c1.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The InChIKey is QHPNYGCXBDQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H,13H2.
What are the key properties of 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline has a molecular weight of 226.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is sourced from PubChem (CID 104732148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).