N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C14H20F3N3O — CID 75448260

IUPACN-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESC=CC(C)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C
InChIInChI=1S/C14H20F3N3O/c1-6-8(2)18-13(21)9(3)12-10(4)19-20(11(12)5)7-14(15,16)17/h6,8-9H,1,7H2,2-5H3,(H,18,21)
InChIKeyDYLSVOAYUDSKTO-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.86
Rot. Bonds5

About N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 75448260) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID75448260
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESC=CC(C)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C
InChIInChI=1S/C14H20F3N3O/c1-6-8(2)18-13(21)9(3)12-10(4)19-20(11(12)5)7-14(15,16)17/h6,8-9H,1,7H2,2-5H3,(H,18,21)
InChIKeyDYLSVOAYUDSKTO-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 75448260) is N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is C=CC(C)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C.
What is the InChIKey of N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is DYLSVOAYUDSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-6-8(2)18-13(21)9(3)12-10(4)19-20(11(12)5)7-14(15,16)17/h6,8-9H,1,7H2,2-5H3,(H,18,21).
What are the key properties of N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 303.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 75448260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).