(2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

C17H20ClF3N4O2 — CID 120785325

About (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120785325) has the molecular formula C17H20ClF3N4O2 and a molecular weight of 404.82 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
• PubChem CID: 120785325
• Molecular Formula: C17H20ClF3N4O2
• Molecular Weight: 404.82 g/mol
• Exact Mass: 404.12
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
• SMILES: Cc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)n(-c2cccc(C(F)(F)F)c2)n1.Cl
• InChI: InChI=1S/C17H19F3N4O2.ClH/c1-10-7-15(22-16(25)14-6-5-13(9-21)26-14)24(23-10)12-4-2-3-11(8-12)17(18,19)20;/h2-4,7-8,13-14H,5-6,9,21H2,1H3,(H,22,25);1H/t13-,14+;/m1./s1
• InChIKey: ICGFZAYDDRSVPW-DFQHDRSWSA-N
• XLogP: 3.07
• TPSA: 82.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.82
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride (CID 120785325) is (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is Cc1cc(NC(=O)[C@@H]2CC[C@H](CN)O2)n(-c2cccc(C(F)(F)F)c2)n1.Cl.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?

The InChIKey is ICGFZAYDDRSVPW-DFQHDRSWSA-N. The full InChI is InChI=1S/C17H19F3N4O2.ClH/c1-10-7-15(22-16(25)14-6-5-13(9-21)26-14)24(23-10)12-4-2-3-11(8-12)17(18,19)20;/h2-4,7-8,13-14H,5-6,9,21H2,1H3,(H,22,25);1H/t13-,14+;/m1./s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride?

(2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120785325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).