1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

C17H17F3N4O2 — CID 136526513

IUPAC1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-23-10-13(9-21-23)22-15(25)14-7-4-8-24(14)16(26)12-5-2-1-3-6-12/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,22,25)
InChIKeyIJXSDYFQFYMRJE-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.69
Rot. Bonds4

About 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 136526513) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID136526513
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-23-10-13(9-21-23)22-15(25)14-7-4-8-24(14)16(26)12-5-2-1-3-6-12/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,22,25)
InChIKeyIJXSDYFQFYMRJE-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 110278326
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47889480
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (CID 136526513) is 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is IJXSDYFQFYMRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-23-10-13(9-21-23)22-15(25)14-7-4-8-24(14)16(26)12-5-2-1-3-6-12/h1-3,5-6,9-10,14H,4,7-8,11H2,(H,22,25).
What are the key properties of 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136526513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).