3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline

C12H9ClN4O — CID 107718013

IUPAC3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1cccc(Cl)c1Oc1nccn2nccc12
InChIInChI=1S/C12H9ClN4O/c13-8-2-1-3-9(14)11(8)18-12-10-4-5-16-17(10)7-6-15-12/h1-7H,14H2
InChIKeyBVDXLNMUXLBCAM-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.76
Rot. Bonds2

About 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline

3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (PubChem CID 107718013) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.

Molecular Properties

Compound Name3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
PubChem CID107718013
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
SMILESNc1cccc(Cl)c1Oc1nccn2nccc12
InChIInChI=1S/C12H9ClN4O/c13-8-2-1-3-9(14)11(8)18-12-10-4-5-16-17(10)7-6-15-12/h1-7H,14H2
InChIKeyBVDXLNMUXLBCAM-UHFFFAOYSA-N
XLogP2.76
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.76
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
4-pyrazolo[1,5-a]pyrazin-4-yloxynaphthalen-1-amine
CID 104732206
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
3-chloro-2-isoquinolin-1-yloxyaniline
CID 107718011
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732228
4-(4-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730206
4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730194
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 107717867
N-methyl-2-pyrazolo[1,5-a]pyrazin-4-yloxyethanamine
CID 104733451
(3-methoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanol
CID 107743880

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The IUPAC name of 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline (CID 107718013) is 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline.
What is the SMILES notation for 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The canonical SMILES for 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is Nc1cccc(Cl)c1Oc1nccn2nccc12.
What is the InChIKey of 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
The InChIKey is BVDXLNMUXLBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-8-2-1-3-9(14)11(8)18-12-10-4-5-16-17(10)7-6-15-12/h1-7H,14H2.
What are the key properties of 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline?
3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline has a molecular weight of 260.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline is sourced from PubChem (CID 107718013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).