2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C14H17N3O — CID 118706773

IUPAC2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESNC1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C14H17N3O/c15-13-7-4-8-17-14(13)9-11(16-17)10-18-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10,15H2
InChIKeyMABXCUBNFHPRFM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds3

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

2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706773) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706773
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESNC1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C14H17N3O/c15-13-7-4-8-17-14(13)9-11(16-17)10-18-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10,15H2
InChIKeyMABXCUBNFHPRFM-UHFFFAOYSA-N
XLogP2.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706773) is 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is NC1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is MABXCUBNFHPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-7-4-8-17-14(13)9-11(16-17)10-18-12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10,15H2.
What are the key properties of 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).