1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

C8H11N3O2 — CID 90939861

IUPAC1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCn1ncc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-10-7-5-11(8(12)13)3-2-6(7)4-9-10/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRSTGJLIOKLRRGC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.46
Rot. Bonds

About 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 90939861) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID90939861
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCn1ncc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H11N3O2/c1-10-7-5-11(8(12)13)3-2-6(7)4-9-10/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRSTGJLIOKLRRGC-UHFFFAOYSA-N
XLogP0.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 90939861) is 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is Cn1ncc2c1CN(C(=O)O)CC2.
What is the InChIKey of 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is RSTGJLIOKLRRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10-7-5-11(8(12)13)3-2-6(7)4-9-10/h4H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 90939861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).