(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C16H20F3N5O4 — CID 97465143

IUPAC(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3N5O4/c17-16(18,19)10-23-9-12(6-21-23)24-8-11(5-13(24)25)15(27)20-7-14(26)22-1-3-28-4-2-22/h6,9,11H,1-5,7-8,10H2,(H,20,27)/t11-/m1/s1
InChIKeyBVSPHJPXMAIGDJ-LLVKDONJSA-N
MW403.36 g/mol
LogP-0.23
Rot. Bonds5

About (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 97465143) has the molecular formula C16H20F3N5O4 and a molecular weight of 403.36 g/mol. Its IUPAC name is (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID97465143
Molecular FormulaC16H20F3N5O4
Molecular Weight403.36 g/mol
Exact Mass403.15
IUPAC Name(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3N5O4/c17-16(18,19)10-23-9-12(6-21-23)24-8-11(5-13(24)25)15(27)20-7-14(26)22-1-3-28-4-2-22/h6,9,11H,1-5,7-8,10H2,(H,20,27)/t11-/m1/s1
InChIKeyBVSPHJPXMAIGDJ-LLVKDONJSA-N
XLogP-0.23
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
(3R)-N-benzyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97465084
(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97465125
5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830409
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97416303
(3R)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39349857
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 97465143) is (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C(NCC(=O)N1CCOCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is BVSPHJPXMAIGDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20F3N5O4/c17-16(18,19)10-23-9-12(6-21-23)24-8-11(5-13(24)25)15(27)20-7-14(26)22-1-3-28-4-2-22/h6,9,11H,1-5,7-8,10H2,(H,20,27)/t11-/m1/s1.
What are the key properties of (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97465143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).