3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

C19H26N6O — CID 91947688

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCCc2nnc3ccccn23)c1C
InChIInChI=1S/C19H26N6O/c1-4-25-15(3)16(14(2)23-25)10-11-19(26)20-12-7-9-18-22-21-17-8-5-6-13-24(17)18/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,20,26)
InChIKeyGCEIVZFNXCZHNY-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.24
Rot. Bonds8

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (PubChem CID 91947688) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
PubChem CID91947688
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
SMILESCCn1nc(C)c(CCC(=O)NCCCc2nnc3ccccn23)c1C
InChIInChI=1S/C19H26N6O/c1-4-25-15(3)16(14(2)23-25)10-11-19(26)20-12-7-9-18-22-21-17-8-5-6-13-24(17)18/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,20,26)
InChIKeyGCEIVZFNXCZHNY-UHFFFAOYSA-N
XLogP2.24
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947447
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947565
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 41331796
2-methyl-1-pentyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111760613
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767825
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111767824
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide (CID 91947688) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is CCn1nc(C)c(CCC(=O)NCCCc2nnc3ccccn23)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
The InChIKey is GCEIVZFNXCZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-25-15(3)16(14(2)23-25)10-11-19(26)20-12-7-9-18-22-21-17-8-5-6-13-24(17)18/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,20,26).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide has a molecular weight of 354.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide is sourced from PubChem (CID 91947688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).