N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine

C13H17N3 — CID 103126360

IUPACN-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1cnn2ccccc12
InChIInChI=1S/C13H17N3/c1-3-7-12(14-4-2)11-10-15-16-9-6-5-8-13(11)16/h3,5-6,8-10,12,14H,1,4,7H2,2H3
InChIKeyUEGAGGCNNVUJQL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine

N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine (PubChem CID 103126360) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
PubChem CID103126360
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1cnn2ccccc12
InChIInChI=1S/C13H17N3/c1-3-7-12(14-4-2)11-10-15-16-9-6-5-8-13(11)16/h3,5-6,8-10,12,14H,1,4,7H2,2H3
InChIKeyUEGAGGCNNVUJQL-UHFFFAOYSA-N
XLogP2.56
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127281
2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128127
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpropan-1-amine
CID 103125767
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291
2-(3-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126126
1-pyrazolo[1,5-a]pyridin-3-ylbutylhydrazine
CID 103129377
N-[(2-fluorophenyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103126487
2-ethoxy-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127669
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-[(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103127655
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylheptan-1-amine
CID 103126570
(3-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpentyl)hydrazine
CID 103129571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine (CID 103126360) is N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine is C=CCC(NCC)c1cnn2ccccc12.
What is the InChIKey of N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine?
The InChIKey is UEGAGGCNNVUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-7-12(14-4-2)11-10-15-16-9-6-5-8-13(11)16/h3,5-6,8-10,12,14H,1,4,7H2,2H3.
What are the key properties of N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine?
N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 103126360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).