About (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide
(4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide (PubChem CID 164636064) has the molecular formula C15H26N4O2
and a molecular weight of 294.40 g/mol. Its IUPAC name is (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide.
Molecular Properties
| Compound Name | (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide |
| PubChem CID | 164636064 |
| Molecular Formula | C15H26N4O2 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.21 |
| IUPAC Name | (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide |
| SMILES | Cc1[nH]ncc1CN(C)C(=O)CC[C@H](C)N1CCOCC1 |
| InChI | InChI=1S/C15H26N4O2/c1-12(19-6-8-21-9-7-19)4-5-15(20)18(3)11-14-10-16-17-13(14)2/h10,12H,4-9,11H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChIKey | MNODBRGROFIAPB-LBPRGKRZSA-N |
| XLogP | 1.18 |
| TPSA | 61.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 294.40 |
| LogP ≤ 5 | 1.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide?
The IUPAC name of (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide (CID 164636064) is (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide.
What is the SMILES notation for (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide?
The canonical SMILES for (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide is Cc1[nH]ncc1CN(C)C(=O)CC[C@H](C)N1CCOCC1.
What is the InChIKey of (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide?
The InChIKey is MNODBRGROFIAPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(19-6-8-21-9-7-19)4-5-15(20)18(3)11-14-10-16-17-13(14)2/h10,12H,4-9,11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide?
(4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide is sourced from PubChem (CID 164636064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).