N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C17H20N4 — CID 104730531

IUPACN-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1ccc(CNc2nccn3nc(C(C)C)cc23)cc1
InChIInChI=1S/C17H20N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyXNXWFFYTGQMVEV-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730531) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730531
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1ccc(CNc2nccn3nc(C(C)C)cc23)cc1
InChIInChI=1S/C17H20N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyXNXWFFYTGQMVEV-UHFFFAOYSA-N
XLogP3.77
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104730531) is N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is Cc1ccc(CNc2nccn3nc(C(C)C)cc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is XNXWFFYTGQMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).