[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone

C25H19N3O3 — CID 158839196

IUPAC[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone
SMILESNc1c(C(=O)C2=Cc3ccccc3C2)cnn1-c1ccc(Oc2ccccc2)cc1O
InChIInChI=1S/C25H19N3O3/c26-25-21(24(30)18-12-16-6-4-5-7-17(16)13-18)15-27-28(25)22-11-10-20(14-23(22)29)31-19-8-2-1-3-9-19/h1-12,14-15,29H,13,26H2
InChIKeyIYADYLHHMCUFDG-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.77
Rot. Bonds5

About [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone

[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone (PubChem CID 158839196) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone
PubChem CID158839196
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone
SMILESNc1c(C(=O)C2=Cc3ccccc3C2)cnn1-c1ccc(Oc2ccccc2)cc1O
InChIInChI=1S/C25H19N3O3/c26-25-21(24(30)18-12-16-6-4-5-7-17(16)13-18)15-27-28(25)22-11-10-20(14-23(22)29)31-19-8-2-1-3-9-19/h1-12,14-15,29H,13,26H2
InChIKeyIYADYLHHMCUFDG-UHFFFAOYSA-N
XLogP4.77
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-1-[4-(3-fluorophenoxy)phenyl]pyrazol-4-yl]-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)-1H-inden-2-yl]methanone
CID 161151834
(6R,7aS)-2-[2-[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-6-fluoro-3H-inden-5-yl]-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 162148717
N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide
CID 148925734
N-[2-[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-6-methoxy-3H-inden-5-yl]-2-oxo-2-pyrrolidin-1-ylethanesulfonamide
CID 158039446
5-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
CID 82365343
N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
CID 145211535
N-[2-[5-amino-1-[2-chloro-4-[(3-chloro-2-pyridinyl)oxy]phenyl]pyrazole-4-carbonyl]-6-fluoro-3H-inden-5-yl]-3-fluoropropane-1-sulfonamide
CID 149167947
[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-methyl-6-(methylsulfonylmethyl)-1H-inden-2-yl]methanone
CID 149023419
[5-amino-1-(2-methyl-3H-indol-5-yl)pyrazol-4-yl]-(6-thiophen-2-yl-1H-inden-2-yl)methanone
CID 146918558
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-(2,2-difluoroethoxy)-6-(morpholin-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone
CID 160504367
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-(2,2-difluoroethoxy)-6-(oxan-4-ylsulfonylmethyl)-1H-inden-2-yl]methanone
CID 147925839
[3-[5-amino-1-(2-chloro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138374

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone?
The IUPAC name of [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone (CID 158839196) is [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone is Nc1c(C(=O)C2=Cc3ccccc3C2)cnn1-c1ccc(Oc2ccccc2)cc1O.
What is the InChIKey of [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone?
The InChIKey is IYADYLHHMCUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c26-25-21(24(30)18-12-16-6-4-5-7-17(16)13-18)15-27-28(25)22-11-10-20(14-23(22)29)31-19-8-2-1-3-9-19/h1-12,14-15,29H,13,26H2.
What are the key properties of [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone?
[5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone has a molecular weight of 409.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-hydroxy-4-phenoxyphenyl)pyrazol-4-yl]-(1H-inden-2-yl)methanone is sourced from PubChem (CID 158839196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).