3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide

C15H23F3N4O — CID 19563898

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H23F3N4O/c1-21(2)8-3-7-19-14(23)6-9-22-12(11-4-5-11)10-13(20-22)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23)
InChIKeyKXQKERZFICEURA-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.24
Rot. Bonds8

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 19563898) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID19563898
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H23F3N4O/c1-21(2)8-3-7-19-14(23)6-9-22-12(11-4-5-11)10-13(20-22)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23)
InChIKeyKXQKERZFICEURA-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide (CID 19563898) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is KXQKERZFICEURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-21(2)8-3-7-19-14(23)6-9-22-12(11-4-5-11)10-13(20-22)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,23).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 332.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 19563898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).