methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate

C16H15N3O2 — CID 11219755

IUPACmethyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14(20)9-10-5-7-11(8-6-10)12-3-2-4-13-15(12)16(17)19-18-13/h2-8H,9H2,1H3,(H3,17,18,19)
InChIKeyIUVPBOZRXZJNHF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.53
Rot. Bonds3

About methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate

methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate (PubChem CID 11219755) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate
PubChem CID11219755
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Namemethyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14(20)9-10-5-7-11(8-6-10)12-3-2-4-13-15(12)16(17)19-18-13/h2-8H,9H2,1H3,(H3,17,18,19)
InChIKeyIUVPBOZRXZJNHF-UHFFFAOYSA-N
XLogP2.53
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate (CID 11219755) is methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate is COC(=O)Cc1ccc(-c2cccc3[nH]nc(N)c23)cc1.
What is the InChIKey of methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate?
The InChIKey is IUVPBOZRXZJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-14(20)9-10-5-7-11(8-6-10)12-3-2-4-13-15(12)16(17)19-18-13/h2-8H,9H2,1H3,(H3,17,18,19).
What are the key properties of methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate?
methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate has a molecular weight of 281.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-amino-1H-indazol-4-yl)phenyl]acetate is sourced from PubChem (CID 11219755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).