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

C15H14BrN3O3 — CID 171133071

IUPACN-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C15H14BrN3O3/c16-13-10-3-1-2-6-19(10)18-14(13)15(20)17-9-4-5-11-12(7-9)22-8-21-11/h4-5,7H,1-3,6,8H2,(H,17,20)
InChIKeyQMMDXANRRFOHCK-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.96
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171133071) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171133071
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C15H14BrN3O3/c16-13-10-3-1-2-6-19(10)18-14(13)15(20)17-9-4-5-11-12(7-9)22-8-21-11/h4-5,7H,1-3,6,8H2,(H,17,20)
InChIKeyQMMDXANRRFOHCK-UHFFFAOYSA-N
XLogP2.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
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CID 4078365
N-(1,3-benzodioxol-5-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 91906318
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 171133071) is N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1nn2c(c1Br)CCCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is QMMDXANRRFOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c16-13-10-3-1-2-6-19(10)18-14(13)15(20)17-9-4-5-11-12(7-9)22-8-21-11/h4-5,7H,1-3,6,8H2,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 364.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171133071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).