N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C21H23N3O — CID 118706956

IUPACN-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(CNC2CCCn3nc(OCc4ccccc4)cc32)cc1
InChIInChI=1S/C21H23N3O/c1-3-8-17(9-4-1)15-22-19-12-7-13-24-20(19)14-21(23-24)25-16-18-10-5-2-6-11-18/h1-6,8-11,14,19,22H,7,12-13,15-16H2
InChIKeyFGUFFVPXTSHUIM-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.09
Rot. Bonds6

About N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706956) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706956
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESc1ccc(CNC2CCCn3nc(OCc4ccccc4)cc32)cc1
InChIInChI=1S/C21H23N3O/c1-3-8-17(9-4-1)15-22-19-12-7-13-24-20(19)14-21(23-24)25-16-18-10-5-2-6-11-18/h1-6,8-11,14,19,22H,7,12-13,15-16H2
InChIKeyFGUFFVPXTSHUIM-UHFFFAOYSA-N
XLogP4.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706956) is N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is c1ccc(CNC2CCCn3nc(OCc4ccccc4)cc32)cc1.
What is the InChIKey of N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is FGUFFVPXTSHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-8-17(9-4-1)15-22-19-12-7-13-24-20(19)14-21(23-24)25-16-18-10-5-2-6-11-18/h1-6,8-11,14,19,22H,7,12-13,15-16H2.
What are the key properties of N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 333.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).