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

C12H17ClN4 — CID 104733907

IUPAC2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCCl)nccn2n1
InChIInChI=1S/C12H17ClN4/c1-12(2,3)10-8-9-11(14-5-4-13)15-6-7-17(9)16-10/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeySPIVVJYQQZESPF-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.68
Rot. Bonds3

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

2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104733907) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104733907
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCCCl)nccn2n1
InChIInChI=1S/C12H17ClN4/c1-12(2,3)10-8-9-11(14-5-4-13)15-6-7-17(9)16-10/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeySPIVVJYQQZESPF-UHFFFAOYSA-N
XLogP2.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-[2-(2-chloroethoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733925
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
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
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
N-(4-chlorobutyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106845051

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104733907) is 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCCCl)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is SPIVVJYQQZESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-12(2,3)10-8-9-11(14-5-4-13)15-6-7-17(9)16-10/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 252.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104733907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).