2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H17F3N4O — CID 115767673

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nn(C)cc1CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-9(5-18(3)17-7)4-15-8(2)10(19)16-6-11(12,13)14/h5,8,15H,4,6H2,1-3H3,(H,16,19)
InChIKeyANQYRZYMJDEGHP-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.89
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115767673) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115767673
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nn(C)cc1CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-7-9(5-18(3)17-7)4-15-8(2)10(19)16-6-11(12,13)14/h5,8,15H,4,6H2,1-3H3,(H,16,19)
InChIKeyANQYRZYMJDEGHP-UHFFFAOYSA-N
XLogP0.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115767673) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1nn(C)cc1CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ANQYRZYMJDEGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7-9(5-18(3)17-7)4-15-8(2)10(19)16-6-11(12,13)14/h5,8,15H,4,6H2,1-3H3,(H,16,19).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115767673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).