N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine

C13H15N3 — CID 116642881

IUPACN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCc1cnn2ccccc12
InChIInChI=1S/C13H15N3/c1-2-3-5-8-14-10-12-11-15-16-9-6-4-7-13(12)16/h4,6-7,9,11,14H,5,8,10H2,1H3
InChIKeyHJGSXPROJWLNSF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.84
Rot. Bonds4

About N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine (PubChem CID 116642881) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine
PubChem CID116642881
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCc1cnn2ccccc12
InChIInChI=1S/C13H15N3/c1-2-3-5-8-14-10-12-11-15-16-9-6-4-7-13(12)16/h4,6-7,9,11,14H,5,8,10H2,1H3
InChIKeyHJGSXPROJWLNSF-UHFFFAOYSA-N
XLogP1.84
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)hexan-1-amine
CID 63311788
2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 115632462
N',N'-diethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 63311956
N-(2-methoxyethyl)-N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 103117705
3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)propanamide
CID 63311707
1-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 113234398
4-(2-methoxyethoxy)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)butan-1-amine
CID 115614347
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880
2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 115757570
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
1-(3-methylphenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 63311574
2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63965507

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine?
The IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine (CID 116642881) is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine is CC#CCCNCc1cnn2ccccc12.
What is the InChIKey of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine?
The InChIKey is HJGSXPROJWLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-3-5-8-14-10-12-11-15-16-9-6-4-7-13(12)16/h4,6-7,9,11,14H,5,8,10H2,1H3.
What are the key properties of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine?
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pent-3-yn-1-amine is sourced from PubChem (CID 116642881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).