1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one

C20H23N3O2 — CID 70998413

IUPAC1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)COc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)11-15(24)12-25-16-7-4-13(5-8-16)14-6-9-18-17(10-14)19(21)23-22-18/h4-10H,11-12H2,1-3H3,(H3,21,22,23)
InChIKeyPWAFMUPPLQWGOM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.20
Rot. Bonds5

About 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one

1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one (PubChem CID 70998413) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
PubChem CID70998413
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)COc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)11-15(24)12-25-16-7-4-13(5-8-16)14-6-9-18-17(10-14)19(21)23-22-18/h4-10H,11-12H2,1-3H3,(H3,21,22,23)
InChIKeyPWAFMUPPLQWGOM-UHFFFAOYSA-N
XLogP4.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
1-[2-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one
CID 70998384
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11558446
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
5-ethoxy-1H-indazol-3-amine
CID 21409200
5-[4-(dimethylamino)phenyl]-1H-indazol-3-amine
CID 11637416
5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571033
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
methyl 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carboxylate;dihydrochloride
CID 23134641
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
2-[2-(3-amino-1H-indazol-5-yl)phenoxy]acetohydrazide
CID 11565619
5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
CID 58588585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one (CID 70998413) is 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)COc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one?
The InChIKey is PWAFMUPPLQWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,3)11-15(24)12-25-16-7-4-13(5-8-16)14-6-9-18-17(10-14)19(21)23-22-18/h4-10H,11-12H2,1-3H3,(H3,21,22,23).
What are the key properties of 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one?
1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-5-yl)phenoxy]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 70998413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).