N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine

C14H23N5 — CID 103117697

IUPACN'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCc1cnn2ccncc12
InChIInChI=1S/C14H23N5/c1-14(2,3)17-6-4-5-15-9-12-10-18-19-8-7-16-11-13(12)19/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyYIQDJAKGKKBNAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds6

About N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine

N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine (PubChem CID 103117697) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine
PubChem CID103117697
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCc1cnn2ccncc12
InChIInChI=1S/C14H23N5/c1-14(2,3)17-6-4-5-15-9-12-10-18-19-8-7-16-11-13(12)19/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyYIQDJAKGKKBNAY-UHFFFAOYSA-N
XLogP1.60
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine
CID 103117611
N-(2-methoxyethyl)-N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 103117705
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)hexan-1-amine
CID 63311788
N',N'-diethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1,3-diamine
CID 63311956
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
pyrazolo[1,5-a]pyrazin-3-ylmethanesulfonamide
CID 103123817
2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 115632462
2-[methyl(pyrazolo[1,5-a]pyrazin-3-ylmethyl)amino]ethanol
CID 103117662
4-(2-methoxyethoxy)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)butan-1-amine
CID 115614347
N'-tert-butyl-N-[(2,5-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410442
2,2-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-ol
CID 103128811
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine (CID 103117697) is N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine is CC(C)(C)NCCCNCc1cnn2ccncc12.
What is the InChIKey of N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is YIQDJAKGKKBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(2,3)17-6-4-5-15-9-12-10-18-19-8-7-16-11-13(12)19/h7-8,10-11,15,17H,4-6,9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine?
N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103117697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).