About 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585786) has the molecular formula C22H18Cl2FN7O
and a molecular weight of 486.34 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
Molecular Properties
| Compound Name | 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one |
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| PubChem CID | 71585786 |
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| Molecular Formula | C22H18Cl2FN7O |
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| Molecular Weight | 486.34 g/mol |
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| Exact Mass | 485.09 |
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| IUPAC Name | 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one |
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| SMILES | CC(C)c1c2c(nn1Cc1nn[nH]n1)C(=O)N(c1cccc(Cl)c1F)C2c1ccc(Cl)cc1 |
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| InChI | InChI=1S/C22H18Cl2FN7O/c1-11(2)20-17-19(28-31(20)10-16-26-29-30-27-16)22(33)32(15-5-3-4-14(24)18(15)25)21(17)12-6-8-13(23)9-7-12/h3-9,11,21H,10H2,1-2H3,(H,26,27,29,30) |
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| InChIKey | IDNGXAWKJBFVGN-UHFFFAOYSA-N |
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| XLogP | 4.76 |
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| TPSA | 92.59 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 486.34 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585786) is 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)c1c2c(nn1Cc1nn[nH]n1)C(=O)N(c1cccc(Cl)c1F)C2c1ccc(Cl)cc1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is IDNGXAWKJBFVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN7O/c1-11(2)20-17-19(28-31(20)10-16-26-29-30-27-16)22(33)32(15-5-3-4-14(24)18(15)25)21(17)12-6-8-13(23)9-7-12/h3-9,11,21H,10H2,1-2H3,(H,26,27,29,30).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 486.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2-(2H-tetrazol-5-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).