5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C19H17ClFN3O — CID 53358998

IUPAC5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1-c1ccc(F)cc1Cl)CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H17ClFN3O/c20-16-10-14(21)6-7-18(16)24-19(25)15-12-23(9-8-17(15)22-24)11-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11-12H2
InChIKeyIILBFTYPDQHQCU-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.52
Rot. Bonds3

About 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 53358998) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID53358998
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1-c1ccc(F)cc1Cl)CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H17ClFN3O/c20-16-10-14(21)6-7-18(16)24-19(25)15-12-23(9-8-17(15)22-24)11-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11-12H2
InChIKeyIILBFTYPDQHQCU-UHFFFAOYSA-N
XLogP3.52
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 53358998) is 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is O=c1c2c([nH]n1-c1ccc(F)cc1Cl)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is IILBFTYPDQHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-16-10-14(21)6-7-18(16)24-19(25)15-12-23(9-8-17(15)22-24)11-13-4-2-1-3-5-13/h1-7,10,22H,8-9,11-12H2.
What are the key properties of 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 357.82 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 53358998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).