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

C8H11F3N4O — CID 79805078

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)13-2-5-3-14-15-4-5/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyLFDANYRLVIXBEN-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.31
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 79805078) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID79805078
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)13-2-5-3-14-15-4-5/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyLFDANYRLVIXBEN-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.31
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-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 79805078) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(N)(C(=O)NCc1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is LFDANYRLVIXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-7(12,8(9,10)11)6(16)13-2-5-3-14-15-4-5/h3-4H,2,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 236.20 g/mol, XLogP of 0.31, 3 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-ylmethyl)propanamide is sourced from PubChem (CID 79805078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).