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

C15H16BrN3O — CID 53159842

IUPACN-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C15H16BrN3O/c1-10-8-11(16)5-6-13(10)17-15(20)14-9-12-4-2-3-7-19(12)18-14/h5-6,8-9H,2-4,7H2,1H3,(H,17,20)
InChIKeyMZXSAJCNVWXDDR-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.54
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 53159842) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID53159842
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C15H16BrN3O/c1-10-8-11(16)5-6-13(10)17-15(20)14-9-12-4-2-3-7-19(12)18-14/h5-6,8-9H,2-4,7H2,1H3,(H,17,20)
InChIKeyMZXSAJCNVWXDDR-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide (CID 53159842) is N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc2n(n1)CCCC2.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is MZXSAJCNVWXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-8-11(16)5-6-13(10)17-15(20)14-9-12-4-2-3-7-19(12)18-14/h5-6,8-9H,2-4,7H2,1H3,(H,17,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide?
N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 53159842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).