4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid

C15H15N3O3 — CID 59477650

IUPAC4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1nn(-c2ccc(C(=O)O)c(O)c2)cc1C#N
InChIInChI=1S/C15H15N3O3/c1-15(2,3)13-9(7-16)8-18(17-13)10-4-5-11(14(20)21)12(19)6-10/h4-6,8,19H,1-3H3,(H,20,21)
InChIKeyRPHYKNMATNXRRZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.45
Rot. Bonds2

About 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid

4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid (PubChem CID 59477650) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
PubChem CID59477650
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1nn(-c2ccc(C(=O)O)c(O)c2)cc1C#N
InChIInChI=1S/C15H15N3O3/c1-15(2,3)13-9(7-16)8-18(17-13)10-4-5-11(14(20)21)12(19)6-10/h4-6,8,19H,1-3H3,(H,20,21)
InChIKeyRPHYKNMATNXRRZ-UHFFFAOYSA-N
XLogP2.45
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic 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 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid (CID 59477650) is 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid is CC(C)(C)c1nn(-c2ccc(C(=O)O)c(O)c2)cc1C#N.
What is the InChIKey of 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is RPHYKNMATNXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-15(2,3)13-9(7-16)8-18(17-13)10-4-5-11(14(20)21)12(19)6-10/h4-6,8,19H,1-3H3,(H,20,21).
What are the key properties of 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid?
4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-cyanopyrazol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 59477650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).