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

C14H19F3N4O2 — CID 71830408

IUPACN-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N4O2/c1-3-9(2)19-13(23)10-4-12(22)21(6-10)11-5-18-20(7-11)8-14(15,16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,23)
InChIKeyYOCYCJRHPCAMHJ-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.71
Rot. Bonds5

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

N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 71830408) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID71830408
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N4O2/c1-3-9(2)19-13(23)10-4-12(22)21(6-10)11-5-18-20(7-11)8-14(15,16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,23)
InChIKeyYOCYCJRHPCAMHJ-UHFFFAOYSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 71830408) is N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is YOCYCJRHPCAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-3-9(2)19-13(23)10-4-12(22)21(6-10)11-5-18-20(7-11)8-14(15,16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,19,23).
What are the key properties of N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).