N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine

C15H15N5 — CID 107381223

IUPACN-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C15H15N5/c1-16-8-14-9-18-15(10-17-14)20-11-13(7-19-20)12-5-3-2-4-6-12/h2-7,9-11,16H,8H2,1H3
InChIKeyJJBQHVUAEPJGIE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine

N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine (PubChem CID 107381223) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
PubChem CID107381223
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C15H15N5/c1-16-8-14-9-18-15(10-17-14)20-11-13(7-19-20)12-5-3-2-4-6-12/h2-7,9-11,16H,8H2,1H3
InChIKeyJJBQHVUAEPJGIE-UHFFFAOYSA-N
XLogP2.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine (CID 107381223) is N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine is CNCc1cnc(-n2cc(-c3ccccc3)cn2)cn1.
What is the InChIKey of N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is JJBQHVUAEPJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-16-8-14-9-18-15(10-17-14)20-11-13(7-19-20)12-5-3-2-4-6-12/h2-7,9-11,16H,8H2,1H3.
What are the key properties of N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).