3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H23N3O — CID 31126051

IUPAC3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2ccc(CN3CCc4[nH]nc(C5CCC5)c4C3)cc2)c1
InChIInChI=1S/C21H23N3O/c1-3-17(4-1)21-18-14-24(11-10-19(18)22-23-21)13-15-6-8-16(9-7-15)20-5-2-12-25-20/h2,5-9,12,17H,1,3-4,10-11,13-14H2,(H,22,23)
InChIKeyNHTZETVLGQQMJQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.50
Rot. Bonds4

About 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31126051) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31126051
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2ccc(CN3CCc4[nH]nc(C5CCC5)c4C3)cc2)c1
InChIInChI=1S/C21H23N3O/c1-3-17(4-1)21-18-14-24(11-10-19(18)22-23-21)13-15-6-8-16(9-7-15)20-5-2-12-25-20/h2,5-9,12,17H,1,3-4,10-11,13-14H2,(H,22,23)
InChIKeyNHTZETVLGQQMJQ-UHFFFAOYSA-N
XLogP4.50
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31126051) is 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1coc(-c2ccc(CN3CCc4[nH]nc(C5CCC5)c4C3)cc2)c1.
What is the InChIKey of 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is NHTZETVLGQQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-17(4-1)21-18-14-24(11-10-19(18)22-23-21)13-15-6-8-16(9-7-15)20-5-2-12-25-20/h2,5-9,12,17H,1,3-4,10-11,13-14H2,(H,22,23).
What are the key properties of 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 333.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-[[4-(furan-2-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31126051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).