1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone

C15H19N3O2 — CID 110472851

IUPAC1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCC(C)(C)c1cc(N)n(C(=O)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)14(20)8-10-4-6-11(19)7-5-10/h4-7,9,19H,8,16H2,1-3H3
InChIKeyHPAPHBWJNZTWSC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.35
Rot. Bonds2

About 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone

1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 110472851) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
PubChem CID110472851
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCC(C)(C)c1cc(N)n(C(=O)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)14(20)8-10-4-6-11(19)7-5-10/h4-7,9,19H,8,16H2,1-3H3
InChIKeyHPAPHBWJNZTWSC-UHFFFAOYSA-N
XLogP2.35
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110471047
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CID 110471175
(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
CID 110472979
(5-amino-3-tert-butylpyrazol-1-yl)-(3,4-difluorophenyl)methanone
CID 110473057
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
CID 116581146
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide
CID 118194934
[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]methanesulfinate
CID 174608664
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 59265270
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone (CID 110472851) is 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone is CC(C)(C)c1cc(N)n(C(=O)Cc2ccc(O)cc2)n1.
What is the InChIKey of 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is HPAPHBWJNZTWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)12-9-13(16)18(17-12)14(20)8-10-4-6-11(19)7-5-10/h4-7,9,19H,8,16H2,1-3H3.
What are the key properties of 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone?
1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 110472851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).