N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C17H28N4 — CID 104731980

IUPACN-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCCCCCNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C17H28N4/c1-4-5-6-7-8-9-10-18-17-16-13-15(14(2)3)20-21(16)12-11-19-17/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyOHJYLOFUPJAFGQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.63
Rot. Bonds9

About N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731980) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731980
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCCCCCCNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C17H28N4/c1-4-5-6-7-8-9-10-18-17-16-13-15(14(2)3)20-21(16)12-11-19-17/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyOHJYLOFUPJAFGQ-UHFFFAOYSA-N
XLogP4.63
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731912
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050
N,2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104732791

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731980) is N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CCCCCCCCNc1nccn2nc(C(C)C)cc12.
What is the InChIKey of N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OHJYLOFUPJAFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-5-6-7-8-9-10-18-17-16-13-15(14(2)3)20-21(16)12-11-19-17/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).