5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid

C15H17N3O4 — CID 20818098

IUPAC5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
SMILESCC(C)(C)c1cc(N)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)11-7-12(16)18(17-11)10-5-8(13(19)20)4-9(6-10)14(21)22/h4-7H,16H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHPCDMMQLURWGHL-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.15
Rot. Bonds3

About 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid

5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid (PubChem CID 20818098) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
PubChem CID20818098
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
SMILESCC(C)(C)c1cc(N)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)11-7-12(16)18(17-11)10-5-8(13(19)20)4-9(6-10)14(21)22/h4-7H,16H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyHPCDMMQLURWGHL-UHFFFAOYSA-N
XLogP2.15
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid (CID 20818098) is 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid is CC(C)(C)c1cc(N)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1.
What is the InChIKey of 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
The InChIKey is HPCDMMQLURWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(2,3)11-7-12(16)18(17-11)10-5-8(13(19)20)4-9(6-10)14(21)22/h4-7H,16H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid?
5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-tert-butylpyrazol-1-yl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 20818098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).