2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile

C15H15N3O — CID 71814127

IUPAC2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccccc1COc1cc2n(n1)CCCC2
InChIInChI=1S/C15H15N3O/c16-10-12-5-1-2-6-13(12)11-19-15-9-14-7-3-4-8-18(14)17-15/h1-2,5-6,9H,3-4,7-8,11H2
InChIKeyYCWZYFNDCAQXMM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile

2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile (PubChem CID 71814127) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
PubChem CID71814127
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccccc1COc1cc2n(n1)CCCC2
InChIInChI=1S/C15H15N3O/c16-10-12-5-1-2-6-13(12)11-19-15-9-14-7-3-4-8-18(14)17-15/h1-2,5-6,9H,3-4,7-8,11H2
InChIKeyYCWZYFNDCAQXMM-UHFFFAOYSA-N
XLogP2.67
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The IUPAC name of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile (CID 71814127) is 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile.
What is the SMILES notation for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The canonical SMILES for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile is N#Cc1ccccc1COc1cc2n(n1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The InChIKey is YCWZYFNDCAQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-12-5-1-2-6-13(12)11-19-15-9-14-7-3-4-8-18(14)17-15/h1-2,5-6,9H,3-4,7-8,11H2.
What are the key properties of 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile is sourced from PubChem (CID 71814127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).