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

C22H25N3O — CID 118706780

IUPACN-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESCN(Cc1ccccc1)C1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C22H25N3O/c1-24(16-18-9-4-2-5-10-18)21-13-8-14-25-22(21)15-19(23-25)17-26-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3
InChIKeySYSOEILIOJHZSZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.43
Rot. Bonds6

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

N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706780) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706780
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESCN(Cc1ccccc1)C1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C22H25N3O/c1-24(16-18-9-4-2-5-10-18)21-13-8-14-25-22(21)15-19(23-25)17-26-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3
InChIKeySYSOEILIOJHZSZ-UHFFFAOYSA-N
XLogP4.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706773
2-(phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706776
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195692
7-[(2,2-difluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,8,9,10-tetrahydro-4H-pyrazolo[1,5-g][1,3,7]oxadiazonine
CID 162592822
cyclobutyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195697
5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 158478677
N-cycloheptyl-1-ethyl-N-methyl-3-(phenoxymethyl)pyrazole-5-carboxamide
CID 72703408
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
5-[4-(dimethylamino)-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706780) is N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is CN(Cc1ccccc1)C1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is SYSOEILIOJHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24(16-18-9-4-2-5-10-18)21-13-8-14-25-22(21)15-19(23-25)17-26-20-11-6-3-7-12-20/h2-7,9-12,15,21H,8,13-14,16-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 347.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).