1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C15H23N3O3 — CID 121435523

IUPAC1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(C)n1nc(C2CCOC2)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-12-4-6-17(14(19)20)8-11(12)13(16-18)10-5-7-21-9-10/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyRYBZBSSINIOVOB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds1

About 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435523) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435523
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(C)n1nc(C2CCOC2)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-12-4-6-17(14(19)20)8-11(12)13(16-18)10-5-7-21-9-10/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyRYBZBSSINIOVOB-UHFFFAOYSA-N
XLogP2.18
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-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

Related Compounds

1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 145091366
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435462
3-bromo-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121365445
4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 175530858
1-tert-butyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 105461793
2-tert-butyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 105481851
8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175530777
1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 113483564
2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid
CID 82382853
3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 175169539
3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 141310111

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435523) is 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is CC(C)(C)n1nc(C2CCOC2)c2c1CCN(C(=O)O)C2.
What is the InChIKey of 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is RYBZBSSINIOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)18-12-4-6-17(14(19)20)8-11(12)13(16-18)10-5-7-21-9-10/h10H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).