(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide

C20H24F3N3O2 — CID 71064710

IUPAC(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1C[C@@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)14-5-3-4-12(8-14)15-10-16(15)25-18(27)13-9-17(24-11-13)19(28)26-6-1-2-7-26/h3-5,8,13,15-17,24H,1-2,6-7,9-11H2,(H,25,27)/t13-,15+,16?,17-/m0/s1
InChIKeyUIHKZGCYEKLNRK-YZKFAUGJSA-N
MW395.43 g/mol
LogP2.28
Rot. Bonds4

About (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide

(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide (PubChem CID 71064710) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
PubChem CID71064710
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
SMILESO=C(NC1C[C@@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)14-5-3-4-12(8-14)15-10-16(15)25-18(27)13-9-17(24-11-13)19(28)26-6-1-2-7-26/h3-5,8,13,15-17,24H,1-2,6-7,9-11H2,(H,25,27)/t13-,15+,16?,17-/m0/s1
InChIKeyUIHKZGCYEKLNRK-YZKFAUGJSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide (CID 71064710) is (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide is O=C(NC1C[C@@H]1c1cccc(C(F)(F)F)c1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide?
The InChIKey is UIHKZGCYEKLNRK-YZKFAUGJSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)14-5-3-4-12(8-14)15-10-16(15)25-18(27)13-9-17(24-11-13)19(28)26-6-1-2-7-26/h3-5,8,13,15-17,24H,1-2,6-7,9-11H2,(H,25,27)/t13-,15+,16?,17-/m0/s1.
What are the key properties of (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide?
(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71064710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).