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

C20H21N3O — CID 118706777

IUPAC2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(NC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C20H21N3O/c1-3-8-16(9-4-1)21-19-12-7-13-23-20(19)14-17(22-23)15-24-18-10-5-2-6-11-18/h1-6,8-11,14,19,21H,7,12-13,15H2
InChIKeyKOIWKNIZKIXSBJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.41
Rot. Bonds5

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

2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706777) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706777
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(NC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C20H21N3O/c1-3-8-16(9-4-1)21-19-12-7-13-23-20(19)14-17(22-23)15-24-18-10-5-2-6-11-18/h1-6,8-11,14,19,21H,7,12-13,15H2
InChIKeyKOIWKNIZKIXSBJ-UHFFFAOYSA-N
XLogP4.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706765
2-(Phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706776
N-benzyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706778
N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706780
N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706781
N-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706782
N-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706783
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706784
N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706956
4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
CID 118706957
4-Methoxy-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706762
4-(Cyclopropylmethoxy)-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706764

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706777) is 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is c1ccc(NC2CCCn3nc(COc4ccccc4)cc32)cc1.
What is the InChIKey of 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is KOIWKNIZKIXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-8-16(9-4-1)21-19-12-7-13-23-20(19)14-17(22-23)15-24-18-10-5-2-6-11-18/h1-6,8-11,14,19,21H,7,12-13,15H2.
What are the key properties of 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).