3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline

C12H10N4O — CID 113296761

IUPAC3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
SMILESNc1cccc(Oc2ccn3nccc3n2)c1
InChIInChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-5-7-16-11(15-12)4-6-14-16/h1-8H,13H2
InChIKeyUUCSRLOMBKDMRB-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds2

About 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline

3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline (PubChem CID 113296761) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
PubChem CID113296761
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
SMILESNc1cccc(Oc2ccn3nccc3n2)c1
InChIInChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-5-7-16-11(15-12)4-6-14-16/h1-8H,13H2
InChIKeyUUCSRLOMBKDMRB-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

5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372963
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
3-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63591311
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
CID 141450408

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline (CID 113296761) is 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline is Nc1cccc(Oc2ccn3nccc3n2)c1.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
The InChIKey is UUCSRLOMBKDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-2-1-3-10(8-9)17-12-5-7-16-11(15-12)4-6-14-16/h1-8H,13H2.
What are the key properties of 3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline?
3-pyrazolo[1,5-a]pyrimidin-5-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]pyrimidin-5-yloxyaniline is sourced from PubChem (CID 113296761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).