3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid

C13H13N3O2 — CID 82586390

IUPAC3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-2-1-3-11(6-9)16-12-4-5-14-7-10(12)8-15-16/h1-3,6,8,14H,4-5,7H2,(H,17,18)
InChIKeyUWPCUWUVFKGBBV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.22
Rot. Bonds2

About 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid

3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid (PubChem CID 82586390) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
PubChem CID82586390
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2ncc3c2CCNC3)c1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-2-1-3-11(6-9)16-12-4-5-14-7-10(12)8-15-16/h1-3,6,8,14H,4-5,7H2,(H,17,18)
InChIKeyUWPCUWUVFKGBBV-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid (CID 82586390) is 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid is O=C(O)c1cccc(-n2ncc3c2CCNC3)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The InChIKey is UWPCUWUVFKGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)9-2-1-3-11(6-9)16-12-4-5-14-7-10(12)8-15-16/h1-3,6,8,14H,4-5,7H2,(H,17,18).
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 82586390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).