2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid

C16H21N3O2 — CID 102354192

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
SMILESCC(C)(C)c1cc(N)n(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(17)19(18-13)12(15(20)21)9-11-7-5-4-6-8-11/h4-8,10,12H,9,17H2,1-3H3,(H,20,21)
InChIKeyFBNXPUDWRIQYMU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid

2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid (PubChem CID 102354192) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
PubChem CID102354192
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
SMILESCC(C)(C)c1cc(N)n(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(17)19(18-13)12(15(20)21)9-11-7-5-4-6-8-11/h4-8,10,12H,9,17H2,1-3H3,(H,20,21)
InChIKeyFBNXPUDWRIQYMU-UHFFFAOYSA-N
XLogP2.63
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
CID 102354188
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
(2S)-2-benzyl-3-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 124695907
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-tert-butylaniline
CID 70178904
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-chloroaniline
CID 70179935
2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
CID 102354187
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
3-phenyl-2-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514099
(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
CID 110472979
3-phenyl-2-(4-propan-2-ylimidazol-1-yl)propanoic acid
CID 82514089
1-(5-amino-3-tert-butylpyrazol-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 110472851

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid (CID 102354192) is 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid is CC(C)(C)c1cc(N)n(C(Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid?
The InChIKey is FBNXPUDWRIQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)13-10-14(17)19(18-13)12(15(20)21)9-11-7-5-4-6-8-11/h4-8,10,12H,9,17H2,1-3H3,(H,20,21).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid?
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 102354192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).