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

C10H15F3N4O — CID 107463126

IUPAC2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-4-6-7(5-17(3)16-6)15-8(18)9(2,14)10(11,12)13/h5H,4,14H2,1-3H3,(H,15,18)
InChIKeyYMYOTXNBKVMJNI-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.20
Rot. Bonds3

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

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 107463126) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID107463126
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-4-6-7(5-17(3)16-6)15-8(18)9(2,14)10(11,12)13/h5H,4,14H2,1-3H3,(H,15,18)
InChIKeyYMYOTXNBKVMJNI-UHFFFAOYSA-N
XLogP1.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 107463126) is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CCc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is YMYOTXNBKVMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-4-6-7(5-17(3)16-6)15-8(18)9(2,14)10(11,12)13/h5H,4,14H2,1-3H3,(H,15,18).
What are the key properties of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 264.25 g/mol, XLogP of 1.20, 3 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)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 107463126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).