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

C16H21F3N4O2 — CID 97465125

IUPAC(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)10-22-9-13(7-20-22)23-8-11(6-14(23)24)15(25)21-12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,21,25)/t11-/m1/s1
InChIKeyWLGGSKBHEFNTOW-LLVKDONJSA-N
MW358.36 g/mol
LogP2.25
Rot. Bonds4

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

(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 97465125) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID97465125
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)10-22-9-13(7-20-22)23-8-11(6-14(23)24)15(25)21-12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,21,25)/t11-/m1/s1
InChIKeyWLGGSKBHEFNTOW-LLVKDONJSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
5-oxo-N-(2-phenylethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830409
(3R)-N-(2-morpholin-4-yl-2-oxoethyl)-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97465143
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 97465125) is (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is WLGGSKBHEFNTOW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)10-22-9-13(7-20-22)23-8-11(6-14(23)24)15(25)21-12-4-2-1-3-5-12/h7,9,11-12H,1-6,8,10H2,(H,21,25)/t11-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
(3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97465125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).