3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H20FN3 — CID 82587621

IUPAC3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccccc1Cn1nc(Cc2ccccc2)c2c1CCNC2
InChIInChI=1S/C20H20FN3/c21-18-9-5-4-8-16(18)14-24-20-10-11-22-13-17(20)19(23-24)12-15-6-2-1-3-7-15/h1-9,22H,10-14H2
InChIKeyRDDQYSNTWLOCGW-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.31
Rot. Bonds4

About 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587621) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587621
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1ccccc1Cn1nc(Cc2ccccc2)c2c1CCNC2
InChIInChI=1S/C20H20FN3/c21-18-9-5-4-8-16(18)14-24-20-10-11-22-13-17(20)19(23-24)12-15-6-2-1-3-7-15/h1-9,22H,10-14H2
InChIKeyRDDQYSNTWLOCGW-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587621) is 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1ccccc1Cn1nc(Cc2ccccc2)c2c1CCNC2.
What is the InChIKey of 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RDDQYSNTWLOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-18-9-5-4-8-16(18)14-24-20-10-11-22-13-17(20)19(23-24)12-15-6-2-1-3-7-15/h1-9,22H,10-14H2.
What are the key properties of 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 321.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).