N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide

C11H12BrN5O — CID 113285893

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
SMILESNc1cnn(CCNC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C11H12BrN5O/c12-9-3-8(4-14-5-9)11(18)15-1-2-17-7-10(13)6-16-17/h3-7H,1-2,13H2,(H,15,18)
InChIKeyKGIZRSKPXIHRGP-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.05
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide (PubChem CID 113285893) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
PubChem CID113285893
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
SMILESNc1cnn(CCNC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C11H12BrN5O/c12-9-3-8(4-14-5-9)11(18)15-1-2-17-7-10(13)6-16-17/h3-7H,1-2,13H2,(H,15,18)
InChIKeyKGIZRSKPXIHRGP-UHFFFAOYSA-N
XLogP1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
CID 113285899
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
CID 115319557
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide (CID 113285893) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide is Nc1cnn(CCNC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide?
The InChIKey is KGIZRSKPXIHRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c12-9-3-8(4-14-5-9)11(18)15-1-2-17-7-10(13)6-16-17/h3-7H,1-2,13H2,(H,15,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide has a molecular weight of 310.16 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 113285893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).