N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine

C14H20N4 — CID 113480150

IUPACN-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CC(C)Nc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H20N4/c1-6-10(2)16-13-11-9-12(14(3,4)5)17-18(11)8-7-15-13/h6-10H,1H2,2-5H3,(H,15,16)
InChIKeyPBOCVVYWYYRFAU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds3

About N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine

N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113480150) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113480150
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CC(C)Nc1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H20N4/c1-6-10(2)16-13-11-9-12(14(3,4)5)17-18(11)8-7-15-13/h6-10H,1H2,2-5H3,(H,15,16)
InChIKeyPBOCVVYWYYRFAU-UHFFFAOYSA-N
XLogP3.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
CID 104729773
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732617
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
2-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114468923
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine (CID 113480150) is N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine is C=CC(C)Nc1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is PBOCVVYWYYRFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-6-10(2)16-13-11-9-12(14(3,4)5)17-18(11)8-7-15-13/h6-10H,1H2,2-5H3,(H,15,16).
What are the key properties of N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 244.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113480150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).