About 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine
5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine (PubChem CID 69227264) has the molecular formula C19H17N5
and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine.
Molecular Properties
| Compound Name | 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine |
| PubChem CID | 69227264 |
| Molecular Formula | C19H17N5 |
| Molecular Weight | 315.38 g/mol |
| Exact Mass | 315.15 |
| IUPAC Name | 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine |
| SMILES | Cc1c(N)c(-c2ccn(-c3ccccc3)n2)nn1-c1ccccc1 |
| InChI | InChI=1S/C19H17N5/c1-14-18(20)19(22-24(14)16-10-6-3-7-11-16)17-12-13-23(21-17)15-8-4-2-5-9-15/h2-13H,20H2,1H3 |
| InChIKey | MSKOBSXNWSGZFS-UHFFFAOYSA-N |
| XLogP | 3.62 |
| TPSA | 61.66 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 315.38 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine (CID 69227264) is 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine is Cc1c(N)c(-c2ccn(-c3ccccc3)n2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine?
The InChIKey is MSKOBSXNWSGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-18(20)19(22-24(14)16-10-6-3-7-11-16)17-12-13-23(21-17)15-8-4-2-5-9-15/h2-13H,20H2,1H3.
What are the key properties of 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine?
5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine is sourced from PubChem (CID 69227264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).