1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C20H23F3N4O2 — CID 46104727

IUPAC1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCCN2CCCC2=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2/c1-2-27-17(14-6-3-7-15(12-14)20(21,22)23)13-16(25-27)19(29)24-9-5-11-26-10-4-8-18(26)28/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,24,29)
InChIKeyPNRQEPSKAQXBDV-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.33
Rot. Bonds7

About 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 46104727) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID46104727
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCCCN2CCCC2=O)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2/c1-2-27-17(14-6-3-7-15(12-14)20(21,22)23)13-16(25-27)19(29)24-9-5-11-26-10-4-8-18(26)28/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,24,29)
InChIKeyPNRQEPSKAQXBDV-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078698
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111147967
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 10368349
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide
CID 156503074
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 98639525
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 46104727) is 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCCCN2CCCC2=O)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is PNRQEPSKAQXBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-2-27-17(14-6-3-7-15(12-14)20(21,22)23)13-16(25-27)19(29)24-9-5-11-26-10-4-8-18(26)28/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H,24,29).
What are the key properties of 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).