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

C9H13F3N4O — CID 102805634

IUPAC2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-6(4-16(3)15-5)14-7(17)8(2,13)9(10,11)12/h4H,13H2,1-3H3,(H,14,17)
InChIKeyUYLANQNUEJFRME-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.95
Rot. Bonds2

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

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 102805634) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID102805634
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-6(4-16(3)15-5)14-7(17)8(2,13)9(10,11)12/h4H,13H2,1-3H3,(H,14,17)
InChIKeyUYLANQNUEJFRME-UHFFFAOYSA-N
XLogP0.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 102805634) is 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is Cc1nn(C)cc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is UYLANQNUEJFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5-6(4-16(3)15-5)14-7(17)8(2,13)9(10,11)12/h4H,13H2,1-3H3,(H,14,17).
What are the key properties of 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 250.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dimethylpyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 102805634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).