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

C14H17N3O2 — CID 141134718

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-8-12(15)17(16-11)10-7-5-4-6-9(10)13(18)19/h4-8H,15H2,1-3H3,(H,18,19)
InChIKeyZQVJVILURZTKBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.45
Rot. Bonds2

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

2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid (PubChem CID 141134718) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
PubChem CID141134718
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)11-8-12(15)17(16-11)10-7-5-4-6-9(10)13(18)19/h4-8H,15H2,1-3H3,(H,18,19)
InChIKeyZQVJVILURZTKBY-UHFFFAOYSA-N
XLogP2.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylbenzoic acid;hydrochloride
CID 69113717
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
2-[[3-tert-butyl-1-(2-ethylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276574
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
CID 110472979
5-tert-butyl-1-(2-carboxyphenyl)pyrazole-4-carboxylic acid
CID 82361330
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
CID 102354192
1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
CID 56954316
2-(4-methyl-5-oxotetrazol-1-yl)benzoic acid
CID 91482635
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
CID 44891492
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid (CID 141134718) is 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid is CC(C)(C)c1cc(N)n(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid?
The InChIKey is ZQVJVILURZTKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)11-8-12(15)17(16-11)10-7-5-4-6-9(10)13(18)19/h4-8H,15H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid?
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.45, 2 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)benzoic acid is sourced from PubChem (CID 141134718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).