[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine

C14H13N5 — CID 66451147

IUPAC[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cncc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H13N5/c15-6-13-8-16-9-14(18-13)19-10-12(7-17-19)11-4-2-1-3-5-11/h1-5,7-10H,6,15H2
InChIKeySVCQNWFBPYAXHK-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds3

About [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine

[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine (PubChem CID 66451147) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
PubChem CID66451147
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cncc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H13N5/c15-6-13-8-16-9-14(18-13)19-10-12(7-17-19)11-4-2-1-3-5-11/h1-5,7-10H,6,15H2
InChIKeySVCQNWFBPYAXHK-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine (CID 66451147) is [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine is NCc1cncc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is SVCQNWFBPYAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-6-13-8-16-9-14(18-13)19-10-12(7-17-19)11-4-2-1-3-5-11/h1-5,7-10H,6,15H2.
What are the key properties of [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 251.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66451147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).