3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine

C17H19N5 — CID 77079592

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1ccc(C)cc1-n1nc(C)cc1C
InChIInChI=1S/C17H19N5/c1-11-5-6-14(16-17(18-4)20-8-7-19-16)15(9-11)22-13(3)10-12(2)21-22/h5-10H,1-4H3,(H,18,20)
InChIKeyDSCDIIHNOCYDSZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds3

About 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine

3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine (PubChem CID 77079592) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine
PubChem CID77079592
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1ccc(C)cc1-n1nc(C)cc1C
InChIInChI=1S/C17H19N5/c1-11-5-6-14(16-17(18-4)20-8-7-19-16)15(9-11)22-13(3)10-12(2)21-22/h5-10H,1-4H3,(H,18,20)
InChIKeyDSCDIIHNOCYDSZ-UHFFFAOYSA-N
XLogP3.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine (CID 77079592) is 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine is CNc1nccnc1-c1ccc(C)cc1-n1nc(C)cc1C.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine?
The InChIKey is DSCDIIHNOCYDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-11-5-6-14(16-17(18-4)20-8-7-19-16)15(9-11)22-13(3)10-12(2)21-22/h5-10H,1-4H3,(H,18,20).
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine?
3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 77079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).