6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine

C21H19N5 — CID 66559549

IUPAC6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)20-13-22-14-21(24-20)23-12-17-11-19(26-25-17)16-8-3-2-4-9-16/h2-11,13-14H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyNBSAEFNRJBINSW-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.45
Rot. Bonds5

About 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine

6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 66559549) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine
PubChem CID66559549
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)20-13-22-14-21(24-20)23-12-17-11-19(26-25-17)16-8-3-2-4-9-16/h2-11,13-14H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyNBSAEFNRJBINSW-UHFFFAOYSA-N
XLogP4.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine (CID 66559549) is 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine is Cc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is NBSAEFNRJBINSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-7-5-6-10-18(15)20-13-22-14-21(24-20)23-12-17-11-19(26-25-17)16-8-3-2-4-9-16/h2-11,13-14H,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine?
6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 66559549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).