5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C9H13N3O2 — CID 46318260

IUPAC5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCN1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H13N3O2/c1-2-12-4-3-7-6(5-12)8(9(13)14)11-10-7/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyPCDYXULSYOUBNA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.49
Rot. Bonds2

About 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 46318260) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID46318260
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCN1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H13N3O2/c1-2-12-4-3-7-6(5-12)8(9(13)14)11-10-7/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyPCDYXULSYOUBNA-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 118777844
5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 145225750
[4-(2-chloro-3-methylphenyl)piperidin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 170244900
5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 83915632
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepine-3-carboxylic acid
CID 83862837
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 163334328
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 46318260) is 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is CCN1CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is PCDYXULSYOUBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-12-4-3-7-6(5-12)8(9(13)14)11-10-7/h2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 46318260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).