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

C9H16ClN3O3 — CID 75531047

IUPAC1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride
SMILESCCn1nc(C(=O)O)c2c1CCNC2.Cl.O
InChIInChI=1S/C9H13N3O2.ClH.H2O/c1-2-12-7-3-4-10-5-6(7)8(11-12)9(13)14;;/h10H,2-5H2,1H3,(H,13,14);1H;1H2
InChIKeyAUQKHELQXXHYLW-UHFFFAOYSA-N
MW249.70 g/mol
LogP-0.16
Rot. Bonds2

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

1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride (PubChem CID 75531047) has the molecular formula C9H16ClN3O3 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride
PubChem CID75531047
Molecular FormulaC9H16ClN3O3
Molecular Weight249.70 g/mol
Exact Mass249.09
IUPAC Name1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride
SMILESCCn1nc(C(=O)O)c2c1CCNC2.Cl.O
InChIInChI=1S/C9H13N3O2.ClH.H2O/c1-2-12-7-3-4-10-5-6(7)8(11-12)9(13)14;;/h10H,2-5H2,1H3,(H,13,14);1H;1H2
InChIKeyAUQKHELQXXHYLW-UHFFFAOYSA-N
XLogP-0.16
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride?
The IUPAC name of 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride (CID 75531047) is 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride.
What is the SMILES notation for 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride?
The canonical SMILES for 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride is CCn1nc(C(=O)O)c2c1CCNC2.Cl.O.
What is the InChIKey of 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride?
The InChIKey is AUQKHELQXXHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH.H2O/c1-2-12-7-3-4-10-5-6(7)8(11-12)9(13)14;;/h10H,2-5H2,1H3,(H,13,14);1H;1H2.
What are the key properties of 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride?
1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid;hydrate;hydrochloride is sourced from PubChem (CID 75531047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).