About N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 134440477) has the molecular formula C20H15F6N7O
and a molecular weight of 483.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
Molecular Properties
| Compound Name | N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine |
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| PubChem CID | 134440477 |
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| Molecular Formula | C20H15F6N7O |
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| Molecular Weight | 483.38 g/mol |
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| Exact Mass | 483.12 |
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| IUPAC Name | N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine |
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| SMILES | Cc1nn(-c2cc(Nc3n[nH]c(-c4ccc(F)cc4)c3OC(F)F)ncn2)c(C)c1C(F)(F)F |
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| InChI | InChI=1S/C20H15F6N7O/c1-9-15(20(24,25)26)10(2)33(32-9)14-7-13(27-8-28-14)29-18-17(34-19(22)23)16(30-31-18)11-3-5-12(21)6-4-11/h3-8,19H,1-2H3,(H2,27,28,29,30,31) |
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| InChIKey | SLGDDNDRWAZHMA-UHFFFAOYSA-N |
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| XLogP | 5.17 |
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| TPSA | 93.54 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 483.38 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 134440477) is N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is Cc1nn(-c2cc(Nc3n[nH]c(-c4ccc(F)cc4)c3OC(F)F)ncn2)c(C)c1C(F)(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is SLGDDNDRWAZHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N7O/c1-9-15(20(24,25)26)10(2)33(32-9)14-7-13(27-8-28-14)29-18-17(34-19(22)23)16(30-31-18)11-3-5-12(21)6-4-11/h3-8,19H,1-2H3,(H2,27,28,29,30,31).
What are the key properties of N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 483.38 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).