4-(3-methylphenoxy)-1H-indazol-3-amine

C14H13N3O — CID 44523368

IUPAC4-(3-methylphenoxy)-1H-indazol-3-amine
SMILESCc1cccc(Oc2cccc3[nH]nc(N)c23)c1
InChIInChI=1S/C14H13N3O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11-13(12)14(15)17-16-11/h2-8H,1H3,(H3,15,16,17)
InChIKeyCMEBVYXUCDFODD-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.25
Rot. Bonds2

About 4-(3-methylphenoxy)-1H-indazol-3-amine

4-(3-methylphenoxy)-1H-indazol-3-amine (PubChem CID 44523368) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-1H-indazol-3-amine
PubChem CID44523368
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(3-methylphenoxy)-1H-indazol-3-amine
SMILESCc1cccc(Oc2cccc3[nH]nc(N)c23)c1
InChIInChI=1S/C14H13N3O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11-13(12)14(15)17-16-11/h2-8H,1H3,(H3,15,16,17)
InChIKeyCMEBVYXUCDFODD-UHFFFAOYSA-N
XLogP3.25
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-1H-indazol-3-amine?
The IUPAC name of 4-(3-methylphenoxy)-1H-indazol-3-amine (CID 44523368) is 4-(3-methylphenoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-(3-methylphenoxy)-1H-indazol-3-amine is Cc1cccc(Oc2cccc3[nH]nc(N)c23)c1.
What is the InChIKey of 4-(3-methylphenoxy)-1H-indazol-3-amine?
The InChIKey is CMEBVYXUCDFODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-4-2-5-10(8-9)18-12-7-3-6-11-13(12)14(15)17-16-11/h2-8H,1H3,(H3,15,16,17).
What are the key properties of 4-(3-methylphenoxy)-1H-indazol-3-amine?
4-(3-methylphenoxy)-1H-indazol-3-amine has a molecular weight of 239.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-1H-indazol-3-amine is sourced from PubChem (CID 44523368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).