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

C15H15N3O — CID 71814290

IUPAC4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C15H15N3O/c16-10-12-4-6-13(7-5-12)11-19-15-9-14-3-1-2-8-18(14)17-15/h4-7,9H,1-3,8,11H2
InChIKeyFVXIYNYBOIJRBK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

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

4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile (PubChem CID 71814290) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
PubChem CID71814290
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C15H15N3O/c16-10-12-4-6-13(7-5-12)11-19-15-9-14-3-1-2-8-18(14)17-15/h4-7,9H,1-3,8,11H2
InChIKeyFVXIYNYBOIJRBK-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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Related Compounds

Benzydamine
CID 12555
1,3-Dimethyl-5-phenoxypyrazole-4-carbonitrile
CID 682833
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
6-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102
2-Butyl-3-ethoxyindazole
CID 71729143
2-[(3-Methylphenyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814128
N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706956
3-Ethoxy-2-propan-2-ylindazole
CID 118717004
2-(3-Methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814124
1-Benzyl-3-phenylmethoxyindazole
CID 76317912

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The IUPAC name of 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile (CID 71814290) is 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile.
What is the SMILES notation for 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The canonical SMILES for 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile is N#Cc1ccc(COc2cc3n(n2)CCCC3)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
The InChIKey is FVXIYNYBOIJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-12-4-6-13(7-5-12)11-19-15-9-14-3-1-2-8-18(14)17-15/h4-7,9H,1-3,8,11H2.
What are the key properties of 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile?
4-(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 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)benzonitrile is sourced from PubChem (CID 71814290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).