N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C13H21F3N4O — CID 19534722

IUPACN-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NCCCN(C)C
InChIInChI=1S/C13H21F3N4O/c1-9-8-11(13(14,15)16)18-20(9)10(2)12(21)17-6-5-7-19(3)4/h8,10H,5-7H2,1-4H3,(H,17,21)
InChIKeyVTCMHLRAOPDDRT-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.84
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534722) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19534722
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NCCCN(C)C
InChIInChI=1S/C13H21F3N4O/c1-9-8-11(13(14,15)16)18-20(9)10(2)12(21)17-6-5-7-19(3)4/h8,10H,5-7H2,1-4H3,(H,17,21)
InChIKeyVTCMHLRAOPDDRT-UHFFFAOYSA-N
XLogP1.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.84
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 N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534722) is N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VTCMHLRAOPDDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-9-8-11(13(14,15)16)18-20(9)10(2)12(21)17-6-5-7-19(3)4/h8,10H,5-7H2,1-4H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 306.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).