2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid

C15H17N3O2 — CID 82588919

IUPAC2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H17N3O2/c19-15(20)11-18-14-6-7-17(10-13(14)8-16-18)9-12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,19,20)
InChIKeyIZEGZVQTXAIPAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds4

About 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid

2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid (PubChem CID 82588919) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
PubChem CID82588919
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H17N3O2/c19-15(20)11-18-14-6-7-17(10-13(14)8-16-18)9-12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,19,20)
InChIKeyIZEGZVQTXAIPAW-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid (CID 82588919) is 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid is O=C(O)Cn1ncc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?
The InChIKey is IZEGZVQTXAIPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)11-18-14-6-7-17(10-13(14)8-16-18)9-12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H,19,20).
What are the key properties of 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid?
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid is sourced from PubChem (CID 82588919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).