2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane

C17H19N3O3 — CID 143156346

IUPAC2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
SMILESCC.Nc1n[nH]c2ccc(-c3ccc(OCC(=O)O)cc3)cc12
InChIInChI=1S/C15H13N3O3.C2H6/c16-15-12-7-10(3-6-13(12)17-18-15)9-1-4-11(5-2-9)21-8-14(19)20;1-2/h1-7H,8H2,(H,19,20)(H3,16,17,18);1-2H3
InChIKeyASJWQEUYMBFRNH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane

2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane (PubChem CID 143156346) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
PubChem CID143156346
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
SMILESCC.Nc1n[nH]c2ccc(-c3ccc(OCC(=O)O)cc3)cc12
InChIInChI=1S/C15H13N3O3.C2H6/c16-15-12-7-10(3-6-13(12)17-18-15)9-1-4-11(5-2-9)21-8-14(19)20;1-2/h1-7H,8H2,(H,19,20)(H3,16,17,18);1-2H3
InChIKeyASJWQEUYMBFRNH-UHFFFAOYSA-N
XLogP3.30
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11558446
1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
CID 70998413
5-ethoxy-1H-indazol-3-amine
CID 21409200
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
5-[4-(dimethylamino)phenyl]-1H-indazol-3-amine
CID 11637416
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
CID 68797274
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571033
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
2-[3-[5-(3-aminopropoxy)-1H-indazol-3-yl]phenoxy]acetic acid
CID 165127497

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane?
The IUPAC name of 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane (CID 143156346) is 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane is CC.Nc1n[nH]c2ccc(-c3ccc(OCC(=O)O)cc3)cc12.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane?
The InChIKey is ASJWQEUYMBFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3.C2H6/c16-15-12-7-10(3-6-13(12)17-18-15)9-1-4-11(5-2-9)21-8-14(19)20;1-2/h1-7H,8H2,(H,19,20)(H3,16,17,18);1-2H3.
What are the key properties of 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane?
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane has a molecular weight of 313.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane is sourced from PubChem (CID 143156346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).