3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid

C14H17N3O3 — CID 107077483

IUPAC3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
SMILESCC(C)n1ccc(COc2c(N)cccc2C(=O)O)n1
InChIInChI=1S/C14H17N3O3/c1-9(2)17-7-6-10(16-17)8-20-13-11(14(18)19)4-3-5-12(13)15/h3-7,9H,8,15H2,1-2H3,(H,18,19)
InChIKeyPSQVHPNGOLLEMV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid

3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid (PubChem CID 107077483) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
PubChem CID107077483
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
SMILESCC(C)n1ccc(COc2c(N)cccc2C(=O)O)n1
InChIInChI=1S/C14H17N3O3/c1-9(2)17-7-6-10(16-17)8-20-13-11(14(18)19)4-3-5-12(13)15/h3-7,9H,8,15H2,1-2H3,(H,18,19)
InChIKeyPSQVHPNGOLLEMV-UHFFFAOYSA-N
XLogP2.32
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
(1-propan-2-ylpyrazol-3-yl)methyl 2-aminobenzoate
CID 64772466
3-amino-2-pentoxybenzoic acid
CID 112579762
3-amino-2-(4-cyanobutoxy)benzoic acid
CID 107077586
3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561
3-amino-2-(4-methylpentan-2-yloxy)benzoic acid
CID 112579635
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64771488
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 107077444
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The IUPAC name of 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid (CID 107077483) is 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The canonical SMILES for 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid is CC(C)n1ccc(COc2c(N)cccc2C(=O)O)n1.
What is the InChIKey of 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
The InChIKey is PSQVHPNGOLLEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)17-7-6-10(16-17)8-20-13-11(14(18)19)4-3-5-12(13)15/h3-7,9H,8,15H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid?
3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid is sourced from PubChem (CID 107077483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).