N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide

C16H23F3N4O — CID 75196091

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CC(c2ccccc2)NN1)CC(F)(F)F
InChIInChI=1S/C16H23F3N4O/c1-23(11-16(17,18)19)9-5-8-20-15(24)14-10-13(21-22-14)12-6-3-2-4-7-12/h2-4,6-7,13-14,21-22H,5,8-11H2,1H3,(H,20,24)
InChIKeyKNZWJSLICKLOBX-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.59
Rot. Bonds7

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 75196091) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID75196091
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CC(c2ccccc2)NN1)CC(F)(F)F
InChIInChI=1S/C16H23F3N4O/c1-23(11-16(17,18)19)9-5-8-20-15(24)14-10-13(21-22-14)12-6-3-2-4-7-12/h2-4,6-7,13-14,21-22H,5,8-11H2,1H3,(H,20,24)
InChIKeyKNZWJSLICKLOBX-UHFFFAOYSA-N
XLogP1.59
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide (CID 75196091) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide is CN(CCCNC(=O)C1CC(c2ccccc2)NN1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is KNZWJSLICKLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-23(11-16(17,18)19)9-5-8-20-15(24)14-10-13(21-22-14)12-6-3-2-4-7-12/h2-4,6-7,13-14,21-22H,5,8-11H2,1H3,(H,20,24).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75196091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).