N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine

C16H19N5 — CID 13251327

IUPACN-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCCCCCNc1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C16H19N5/c1-2-3-7-10-17-15-12-18-16-14(20-15)11-19-21(16)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,20)
InChIKeyCJSGVYDQGUMEQX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.42
Rot. Bonds6

About N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine

N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine (PubChem CID 13251327) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
PubChem CID13251327
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
SMILESCCCCCNc1cnc2c(cnn2-c2ccccc2)n1
InChIInChI=1S/C16H19N5/c1-2-3-7-10-17-15-12-18-16-14(20-15)11-19-21(16)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,20)
InChIKeyCJSGVYDQGUMEQX-UHFFFAOYSA-N
XLogP3.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine (CID 13251327) is N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine is CCCCCNc1cnc2c(cnn2-c2ccccc2)n1.
What is the InChIKey of N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
The InChIKey is CJSGVYDQGUMEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-3-7-10-17-15-12-18-16-14(20-15)11-19-21(16)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,20).
What are the key properties of N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine?
N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-phenylpyrazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 13251327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).