3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline

C13H11ClN4O — CID 107717892

IUPAC3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
SMILESCc1cc2c(Oc3c(N)cccc3Cl)nccn2n1
InChIInChI=1S/C13H11ClN4O/c1-8-7-11-13(16-5-6-18(11)17-8)19-12-9(14)3-2-4-10(12)15/h2-7H,15H2,1H3
InChIKeyTZGAFPLFIZEUEL-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.07
Rot. Bonds2

About 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline

3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline (PubChem CID 107717892) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
PubChem CID107717892
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
SMILESCc1cc2c(Oc3c(N)cccc3Cl)nccn2n1
InChIInChI=1S/C13H11ClN4O/c1-8-7-11-13(16-5-6-18(11)17-8)19-12-9(14)3-2-4-10(12)15/h2-7H,15H2,1H3
InChIKeyTZGAFPLFIZEUEL-UHFFFAOYSA-N
XLogP3.07
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.07
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-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 107718013
2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732194
2-methyl-6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732175
3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733247
4-chloro-2-methylpyrazolo[1,5-a]pyrazine
CID 55264761
N-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732962
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
3-chloro-2-isoquinolin-1-yloxyaniline
CID 107718011
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine
CID 104733340
5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733266
2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 107717867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The IUPAC name of 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline (CID 107717892) is 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline.
What is the SMILES notation for 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The canonical SMILES for 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline is Cc1cc2c(Oc3c(N)cccc3Cl)nccn2n1.
What is the InChIKey of 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The InChIKey is TZGAFPLFIZEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-7-11-13(16-5-6-18(11)17-8)19-12-9(14)3-2-4-10(12)15/h2-7H,15H2,1H3.
What are the key properties of 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline has a molecular weight of 274.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline is sourced from PubChem (CID 107717892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).