About ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene
ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene (PubChem CID 142858053) has the molecular formula C22H35N3O2S
and a molecular weight of 405.61 g/mol. Its IUPAC name is ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene.
Molecular Properties
| Compound Name | ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene |
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| PubChem CID | 142858053 |
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| Molecular Formula | C22H35N3O2S |
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| Molecular Weight | 405.61 g/mol |
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| Exact Mass | 405.24 |
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| IUPAC Name | ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene |
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| SMILES | C=C.C=CC.C=CC(=C)CC.CCn1ccc(-c2ccc(C=O)s2)n1.CNO |
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| InChI | InChI=1S/C10H10N2OS.C6H10.C3H6.C2H4.CH5NO/c1-2-12-6-5-9(11-12)10-4-3-8(7-13)14-10;1-4-6(3)5-2;1-3-2;1-2;1-2-3/h3-7H,2H2,1H3;4H,1,3,5H2,2H3;3H,1H2,2H3;1-2H2;2-3H,1H3 |
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| InChIKey | GRIUKRNQWDCKLY-UHFFFAOYSA-N |
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| XLogP | 6.17 |
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| TPSA | 67.15 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 405.61 |
| LogP ≤ 5 | 6.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene?
The IUPAC name of ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene (CID 142858053) is ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene.
What is the SMILES notation for ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene?
The canonical SMILES for ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene is C=C.C=CC.C=CC(=C)CC.CCn1ccc(-c2ccc(C=O)s2)n1.CNO.
What is the InChIKey of ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene?
The InChIKey is GRIUKRNQWDCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.C6H10.C3H6.C2H4.CH5NO/c1-2-12-6-5-9(11-12)10-4-3-8(7-13)14-10;1-4-6(3)5-2;1-3-2;1-2;1-2-3/h3-7H,2H2,1H3;4H,1,3,5H2,2H3;3H,1H2,2H3;1-2H2;2-3H,1H3.
What are the key properties of ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene?
ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene has a molecular weight of 405.61 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-(1-ethylpyrazol-3-yl)thiophene-2-carbaldehyde;N-methylhydroxylamine;3-methylidenepent-1-ene;prop-1-ene is sourced from PubChem (CID 142858053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).