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

C14H13BrFN3O — CID 171133055

IUPAC3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C14H13BrFN3O/c15-12-11-3-1-2-8-19(11)18-13(12)14(20)17-10-6-4-9(16)5-7-10/h4-7H,1-3,8H2,(H,17,20)
InChIKeyOJGJVXCMZOPRDT-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.37
Rot. Bonds2

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

3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171133055) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171133055
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C14H13BrFN3O/c15-12-11-3-1-2-8-19(11)18-13(12)14(20)17-10-6-4-9(16)5-7-10/h4-7H,1-3,8H2,(H,17,20)
InChIKeyOJGJVXCMZOPRDT-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 171133071
1-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55492659
1-(4-fluorophenyl)-N-[4-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17423592
1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077503
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41191360
1-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618890
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 171133072
3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076013
1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076195
S-[4-[[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529492
1-(4-fluorophenyl)-N-[4-(propylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55893431

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 171133055) is 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1nn2c(c1Br)CCCC2.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is OJGJVXCMZOPRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c15-12-11-3-1-2-8-19(11)18-13(12)14(20)17-10-6-4-9(16)5-7-10/h4-7H,1-3,8H2,(H,17,20).
What are the key properties of 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171133055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).