7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid

C9H11N3O4 — CID 150663990

IUPAC7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESCC1CN(C(=O)O)Cc2c(C(=O)O)n[nH]c21
InChIInChI=1S/C9H11N3O4/c1-4-2-12(9(15)16)3-5-6(4)10-11-7(5)8(13)14/h4H,2-3H2,1H3,(H,10,11)(H,13,14)(H,15,16)
InChIKeyJELVSJNJCCSPLB-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.70
Rot. Bonds1

About 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid

7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid (PubChem CID 150663990) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid
PubChem CID150663990
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESCC1CN(C(=O)O)Cc2c(C(=O)O)n[nH]c21
InChIInChI=1S/C9H11N3O4/c1-4-2-12(9(15)16)3-5-6(4)10-11-7(5)8(13)14/h4H,2-3H2,1H3,(H,10,11)(H,13,14)(H,15,16)
InChIKeyJELVSJNJCCSPLB-UHFFFAOYSA-N
XLogP0.70
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid (CID 150663990) is 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid is CC1CN(C(=O)O)Cc2c(C(=O)O)n[nH]c21.
What is the InChIKey of 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The InChIKey is JELVSJNJCCSPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-4-2-12(9(15)16)3-5-6(4)10-11-7(5)8(13)14/h4H,2-3H2,1H3,(H,10,11)(H,13,14)(H,15,16).
What are the key properties of 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 150663990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).