2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C11H17F3N4O — CID 112669353

IUPAC2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nn(C)cc1CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-4-8-7(6-18(3)17-8)5-16-9(19)10(2,15)11(12,13)14/h6H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyXCQGHUYSSCZJMV-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 112669353) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID112669353
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nn(C)cc1CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-4-8-7(6-18(3)17-8)5-16-9(19)10(2,15)11(12,13)14/h6H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyXCQGHUYSSCZJMV-UHFFFAOYSA-N
XLogP0.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 112669318
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 112669353) is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CCc1nn(C)cc1CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XCQGHUYSSCZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-8-7(6-18(3)17-8)5-16-9(19)10(2,15)11(12,13)14/h6H,4-5,15H2,1-3H3,(H,16,19).
What are the key properties of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 278.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 112669353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).