5-(4-phenylpyrazol-1-yl)pyrazin-2-amine

C13H11N5 — CID 80663482

IUPAC5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
SMILESNc1cnc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C13H11N5/c14-12-7-16-13(8-15-12)18-9-11(6-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
InChIKeySZIPPCLKBTZMQD-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.91
Rot. Bonds2

About 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine

5-(4-phenylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 80663482) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
PubChem CID80663482
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
SMILESNc1cnc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C13H11N5/c14-12-7-16-13(8-15-12)18-9-11(6-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
InChIKeySZIPPCLKBTZMQD-UHFFFAOYSA-N
XLogP1.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine (CID 80663482) is 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine is Nc1cnc(-n2cc(-c3ccccc3)cn2)cn1.
What is the InChIKey of 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is SZIPPCLKBTZMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12-7-16-13(8-15-12)18-9-11(6-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,15).
What are the key properties of 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine?
5-(4-phenylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 237.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 80663482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).