5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C14H21N3O4 — CID 69178569

IUPAC5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)CCOC(=O)N1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)5-7-21-13(20)17-6-4-10-9(8-17)11(12(18)19)16-15-10/h4-8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeySGDZBEYKFZKFNV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds3

About 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 69178569) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID69178569
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)CCOC(=O)N1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)5-7-21-13(20)17-6-4-10-9(8-17)11(12(18)19)16-15-10/h4-8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeySGDZBEYKFZKFNV-UHFFFAOYSA-N
XLogP2.04
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic 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-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 69178569) is 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)(C)CCOC(=O)N1CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is SGDZBEYKFZKFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)5-7-21-13(20)17-6-4-10-9(8-17)11(12(18)19)16-15-10/h4-8H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxycarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 69178569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).