(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

C19H24ClF3N4O — CID 120923446

About (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120923446) has the molecular formula C19H24ClF3N4O and a molecular weight of 416.88 g/mol. Its IUPAC name is (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
• PubChem CID: 120923446
• Molecular Formula: C19H24ClF3N4O
• Molecular Weight: 416.88 g/mol
• Exact Mass: 416.16
• IUPAC Name: (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
• SMILES: CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
• InChI: InChI=1S/C19H23F3N4O.ClH/c1-12(13-5-4-6-15(7-13)19(20,21)22)26(3)18(27)17-10-23-9-16(17)14-8-24-25(2)11-14;/h4-8,11-12,16-17,23H,9-10H2,1-3H3;1H/t12?,16-,17+;/m1./s1
• InChIKey: LOLCQGZFJBEXOL-JSTMTBMXSA-N
• XLogP: 3.38
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.88
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?

The IUPAC name of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 120923446) is (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?

The canonical SMILES for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is CC(c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl.

What is the InChIKey of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?

The InChIKey is LOLCQGZFJBEXOL-JSTMTBMXSA-N. The full InChI is InChI=1S/C19H23F3N4O.ClH/c1-12(13-5-4-6-15(7-13)19(20,21)22)26(3)18(27)17-10-23-9-16(17)14-8-24-25(2)11-14;/h4-8,11-12,16-17,23H,9-10H2,1-3H3;1H/t12?,16-,17+;/m1./s1.

What are the key properties of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?

(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 416.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120923446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).