N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine

C14H15N5 — CID 104732904

IUPACN-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCN(Cc1ccc(N)cc1)c1nccn2nccc12
InChIInChI=1S/C14H15N5/c1-18(10-11-2-4-12(15)5-3-11)14-13-6-7-17-19(13)9-8-16-14/h2-9H,10,15H2,1H3
InChIKeyNORLGKZNUFVSPA-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.95
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine

N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732904) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732904
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCN(Cc1ccc(N)cc1)c1nccn2nccc12
InChIInChI=1S/C14H15N5/c1-18(10-11-2-4-12(15)5-3-11)14-13-6-7-17-19(13)9-8-16-14/h2-9H,10,15H2,1H3
InChIKeyNORLGKZNUFVSPA-UHFFFAOYSA-N
XLogP1.95
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104732904) is N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine is CN(Cc1ccc(N)cc1)c1nccn2nccc12.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NORLGKZNUFVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18(10-11-2-4-12(15)5-3-11)14-13-6-7-17-19(13)9-8-16-14/h2-9H,10,15H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).