2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid

C9H13N3O2 — CID 82400388

IUPAC2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid
SMILESCN1CCc2c(CC(=O)O)n[nH]c2C1
InChIInChI=1S/C9H13N3O2/c1-12-3-2-6-7(4-9(13)14)10-11-8(6)5-12/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyIDSHRLKNQUFVIB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.02
Rot. Bonds2

About 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid

2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid (PubChem CID 82400388) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid
PubChem CID82400388
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid
SMILESCN1CCc2c(CC(=O)O)n[nH]c2C1
InChIInChI=1S/C9H13N3O2/c1-12-3-2-6-7(4-9(13)14)10-11-8(6)5-12/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyIDSHRLKNQUFVIB-UHFFFAOYSA-N
XLogP0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid (CID 82400388) is 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid is CN1CCc2c(CC(=O)O)n[nH]c2C1.
What is the InChIKey of 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid?
The InChIKey is IDSHRLKNQUFVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-3-2-6-7(4-9(13)14)10-11-8(6)5-12/h2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid?
2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid is sourced from PubChem (CID 82400388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).