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

C13H12N4O — CID 104732228

IUPAC3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESCc1cc(N)ccc1Oc1nccn2nccc12
InChIInChI=1S/C13H12N4O/c1-9-8-10(14)2-3-12(9)18-13-11-4-5-16-17(11)7-6-15-13/h2-8H,14H2,1H3
InChIKeyYEGGKMJESUDQQQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.41
Rot. Bonds2

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

3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (PubChem CID 104732228) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.

Molecular Properties

Compound Name3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
PubChem CID104732228
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESCc1cc(N)ccc1Oc1nccn2nccc12
InChIInChI=1S/C13H12N4O/c1-9-8-10(14)2-3-12(9)18-13-11-4-5-16-17(11)7-6-15-13/h2-8H,14H2,1H3
InChIKeyYEGGKMJESUDQQQ-UHFFFAOYSA-N
XLogP2.41
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.41
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

3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
4-pyrazolo[1,5-a]pyrazin-4-yloxynaphthalen-1-amine
CID 104732206
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
(3-methoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanol
CID 107743880
3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 107718013
3-methyl-4-pyridin-2-yloxyaniline
CID 69194589
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
4-(4-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730206
4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730194
2-methyl-6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732175
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
CID 118488441
ethane;4-methylpyrazolo[1,5-a]pyrazine
CID 145108173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The IUPAC name of 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (CID 104732228) is 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.
What is the SMILES notation for 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The canonical SMILES for 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is Cc1cc(N)ccc1Oc1nccn2nccc12.
What is the InChIKey of 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The InChIKey is YEGGKMJESUDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-8-10(14)2-3-12(9)18-13-11-4-5-16-17(11)7-6-15-13/h2-8H,14H2,1H3.
What are the key properties of 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline has a molecular weight of 240.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is sourced from PubChem (CID 104732228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).