(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C14H14BrFN2 — CID 175714245

IUPAC(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC[C@@H]1CCCc2c(Br)c(-c3ccc(F)cc3)nn21
InChIInChI=1S/C14H14BrFN2/c1-9-3-2-4-12-13(15)14(17-18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3/t9-/m1/s1
InChIKeyCJDSZFDMJITUAI-SECBINFHSA-N
MW309.18 g/mol
LogP4.35
Rot. Bonds1

About (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 175714245) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID175714245
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC[C@@H]1CCCc2c(Br)c(-c3ccc(F)cc3)nn21
InChIInChI=1S/C14H14BrFN2/c1-9-3-2-4-12-13(15)14(17-18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3/t9-/m1/s1
InChIKeyCJDSZFDMJITUAI-SECBINFHSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 175714245) is (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C[C@@H]1CCCc2c(Br)c(-c3ccc(F)cc3)nn21.
What is the InChIKey of (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is CJDSZFDMJITUAI-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-3-2-4-12-13(15)14(17-18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3/t9-/m1/s1.
What are the key properties of (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 309.18 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 175714245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).