4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

C14H14N2O2 — CID 142375283

IUPAC4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-9-13-11(7-4-8-16(13)15-12)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18)
InChIKeyCLWSTKMUSJSWQG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds2

About 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 142375283) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID142375283
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCCC2c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-9-13-11(7-4-8-16(13)15-12)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18)
InChIKeyCLWSTKMUSJSWQG-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 142375283) is 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCCC2c1ccccc1.
What is the InChIKey of 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is CLWSTKMUSJSWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)12-9-13-11(7-4-8-16(13)15-12)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,17,18).
What are the key properties of 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 142375283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).