2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine

C14H21ClN4O — CID 104733925

IUPAC2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCOCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)12-10-11-13(16-5-7-19(11)18-12)17-6-9-20-8-4-15/h5,7,10H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyJRWPLFATCSJMBE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.69
Rot. Bonds6

About 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733925) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733925
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCOCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)12-10-11-13(16-5-7-19(11)18-12)17-6-9-20-8-4-15/h5,7,10H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyJRWPLFATCSJMBE-UHFFFAOYSA-N
XLogP2.69
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
2-[2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethoxy]acetamide
CID 106239775
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
N-(2-butoxyethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446302
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-[3-(chloromethyl)pentan-3-yl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733983

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104733925) is 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCCOCCCl)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is JRWPLFATCSJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-14(2,3)12-10-11-13(16-5-7-19(11)18-12)17-6-9-20-8-4-15/h5,7,10H,4,6,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).