2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C10H15F3N4O — CID 90105005

IUPAC2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1c(N)cnn1C(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-6-7(14)4-16-17(6)9(2,3)8(18)15-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,18)
InChIKeyJHUWAQNYENEQSM-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.19
Rot. Bonds3

About 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90105005) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90105005
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1c(N)cnn1C(C)(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-6-7(14)4-16-17(6)9(2,3)8(18)15-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,18)
InChIKeyJHUWAQNYENEQSM-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 90105005) is 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is Cc1c(N)cnn1C(C)(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JHUWAQNYENEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6-7(14)4-16-17(6)9(2,3)8(18)15-5-10(11,12)13/h4H,5,14H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 264.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 90105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).