2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide

C7H9F3N4O — CID 79796623

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(N)(C(=O)Nc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)5(15)14-4-2-12-13-3-4/h2-3H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDVWEQMMZLBSTR-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 79796623) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID79796623
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(N)(C(=O)Nc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)5(15)14-4-2-12-13-3-4/h2-3H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDVWEQMMZLBSTR-UHFFFAOYSA-N
XLogP0.63
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide (CID 79796623) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide is CC(N)(C(=O)Nc1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is CDVWEQMMZLBSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-6(11,7(8,9)10)5(15)14-4-2-12-13-3-4/h2-3H,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 222.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 79796623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).