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

C12H15F3N4O2 — CID 103856082

IUPAC5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C12H15F3N4O2/c1-7(9-3-16-17-4-9)18-11(21)8-2-10(20)19(5-8)6-12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)(H,18,21)
InChIKeyDPEJVGKMSHIRGC-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.00
Rot. Bonds4

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

5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 103856082) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID103856082
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C12H15F3N4O2/c1-7(9-3-16-17-4-9)18-11(21)8-2-10(20)19(5-8)6-12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)(H,18,21)
InChIKeyDPEJVGKMSHIRGC-UHFFFAOYSA-N
XLogP1.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 61260614
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710055
N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64047506
N-methyl-5-oxo-N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64054370
3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103526217
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103856466
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 103856082) is 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is DPEJVGKMSHIRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-7(9-3-16-17-4-9)18-11(21)8-2-10(20)19(5-8)6-12(13,14)15/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)(H,18,21).
What are the key properties of 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103856082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).