5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C16H20N2O2 — CID 170134728

IUPAC5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(CC3CCCCCC3)cc12
InChIInChI=1S/C16H20N2O2/c19-16(20)14-11-17-18-8-7-13(10-15(14)18)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H,19,20)
InChIKeyFRCFNYVUPTWNCR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.55
Rot. Bonds3

About 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 170134728) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID170134728
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(CC3CCCCCC3)cc12
InChIInChI=1S/C16H20N2O2/c19-16(20)14-11-17-18-8-7-13(10-15(14)18)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H,19,20)
InChIKeyFRCFNYVUPTWNCR-UHFFFAOYSA-N
XLogP3.55
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 170134728) is 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2ccc(CC3CCCCCC3)cc12.
What is the InChIKey of 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is FRCFNYVUPTWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20)14-11-17-18-8-7-13(10-15(14)18)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H,19,20).
What are the key properties of 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 170134728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).