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

C13H11ClN4O — CID 104732194

IUPAC2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
SMILESCc1cc2c(Oc3ccc(N)c(Cl)c3)nccn2n1
InChIInChI=1S/C13H11ClN4O/c1-8-6-12-13(16-4-5-18(12)17-8)19-9-2-3-11(15)10(14)7-9/h2-7H,15H2,1H3
InChIKeyBMBSCORHBIOSON-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.07
Rot. Bonds2

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

2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline (PubChem CID 104732194) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
PubChem CID104732194
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
SMILESCc1cc2c(Oc3ccc(N)c(Cl)c3)nccn2n1
InChIInChI=1S/C13H11ClN4O/c1-8-6-12-13(16-4-5-18(12)17-8)19-9-2-3-11(15)10(14)7-9/h2-7H,15H2,1H3
InChIKeyBMBSCORHBIOSON-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-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 107717892
N-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732962
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-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
CID 104730236
4-chloro-2-methylpyrazolo[1,5-a]pyrazine
CID 55264761
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
3-(4-amino-3-chlorophenoxy)-1-(2-methylpropyl)pyrazin-2-one
CID 62929174
[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
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798
4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline
CID 158193034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The IUPAC name of 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline (CID 104732194) is 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline.
What is the SMILES notation for 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The canonical SMILES for 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline is Cc1cc2c(Oc3ccc(N)c(Cl)c3)nccn2n1.
What is the InChIKey of 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
The InChIKey is BMBSCORHBIOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-6-12-13(16-4-5-18(12)17-8)19-9-2-3-11(15)10(14)7-9/h2-7H,15H2,1H3.
What are the key properties of 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline?
2-chloro-4-(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 2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline is sourced from PubChem (CID 104732194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).