2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C9H13N3O2 — CID 105448944

IUPAC2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CNCC2
InChIInChI=1S/C9H13N3O2/c1-2-12-8(9(13)14)6-5-10-4-3-7(6)11-12/h10H,2-5H2,1H3,(H,13,14)
InChIKeyWPMCMLJDGNXGTG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.25
Rot. Bonds2

About 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 105448944) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID105448944
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CNCC2
InChIInChI=1S/C9H13N3O2/c1-2-12-8(9(13)14)6-5-10-4-3-7(6)11-12/h10H,2-5H2,1H3,(H,13,14)
InChIKeyWPMCMLJDGNXGTG-UHFFFAOYSA-N
XLogP0.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 105448944) is 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is CCn1nc2c(c1C(=O)O)CNCC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is WPMCMLJDGNXGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-12-8(9(13)14)6-5-10-4-3-7(6)11-12/h10H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 105448944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).