2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C13H20N4O2 — CID 22335400

IUPAC2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nn(CCN3CCCC3)cc2C1
InChIInChI=1S/C13H20N4O2/c18-13(19)16-6-3-12-11(9-16)10-17(14-12)8-7-15-4-1-2-5-15/h10H,1-9H2,(H,18,19)
InChIKeyRWSOFAMRNGFUGS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 22335400) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID22335400
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nn(CCN3CCCC3)cc2C1
InChIInChI=1S/C13H20N4O2/c18-13(19)16-6-3-12-11(9-16)10-17(14-12)8-7-15-4-1-2-5-15/h10H,1-9H2,(H,18,19)
InChIKeyRWSOFAMRNGFUGS-UHFFFAOYSA-N
XLogP1.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 22335400) is 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2nn(CCN3CCCC3)cc2C1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is RWSOFAMRNGFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(19)16-6-3-12-11(9-16)10-17(14-12)8-7-15-4-1-2-5-15/h10H,1-9H2,(H,18,19).
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22335400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).