About [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
[3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 141241347) has the molecular formula C23H31ClF3N5O2
and a molecular weight of 501.98 g/mol. Its IUPAC name is [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride.
Molecular Properties
| Compound Name | [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride |
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| PubChem CID | 141241347 |
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| Molecular Formula | C23H31ClF3N5O2 |
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| Molecular Weight | 501.98 g/mol |
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| Exact Mass | 501.21 |
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| IUPAC Name | [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride |
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| SMILES | CC(C)(N)c1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)[nH]n1.Cl |
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| InChI | InChI=1S/C23H30F3N5O2.ClH/c1-22(2,27)20-12-19(28-29-20)17-11-16(15-3-5-18(6-4-15)23(24,25)26)13-31(14-17)21(32)30-7-9-33-10-8-30;/h3-6,12,16-17H,7-11,13-14,27H2,1-2H3,(H,28,29);1H |
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| InChIKey | DOJPRSGFWSDIPZ-UHFFFAOYSA-N |
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| XLogP | 4.07 |
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| TPSA | 87.48 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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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 | 501.98 |
| LogP ≤ 5 | 4.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride (CID 141241347) is [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride is CC(C)(N)c1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)[nH]n1.Cl.
What is the InChIKey of [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is DOJPRSGFWSDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2.ClH/c1-22(2,27)20-12-19(28-29-20)17-11-16(15-3-5-18(6-4-15)23(24,25)26)13-31(14-17)21(32)30-7-9-33-10-8-30;/h3-6,12,16-17H,7-11,13-14,27H2,1-2H3,(H,28,29);1H.
What are the key properties of [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
[3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 501.98 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 141241347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).