3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C14H15BrN6O — CID 91947367

IUPAC3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)NCCc1nnc2ccccn12
InChIInChI=1S/C14H15BrN6O/c15-11-9-17-20(10-11)8-5-14(22)16-6-4-13-19-18-12-3-1-2-7-21(12)13/h1-3,7,9-10H,4-6,8H2,(H,16,22)
InChIKeyRKTJFHZAVIUTGG-UHFFFAOYSA-N
MW363.22 g/mol
LogP1.44
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 91947367) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID91947367
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)NCCc1nnc2ccccn12
InChIInChI=1S/C14H15BrN6O/c15-11-9-17-20(10-11)8-5-14(22)16-6-4-13-19-18-12-3-1-2-7-21(12)13/h1-3,7,9-10H,4-6,8H2,(H,16,22)
InChIKeyRKTJFHZAVIUTGG-UHFFFAOYSA-N
XLogP1.44
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 91947367) is 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is O=C(CCn1cc(Br)cn1)NCCc1nnc2ccccn12.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is RKTJFHZAVIUTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c15-11-9-17-20(10-11)8-5-14(22)16-6-4-13-19-18-12-3-1-2-7-21(12)13/h1-3,7,9-10H,4-6,8H2,(H,16,22).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 363.22 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 91947367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).