2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

C10H15F3N4O — CID 113433586

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6-4-7(17-16-6)15-8(18)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyBZQRQTMYTGYFGO-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 113433586) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID113433586
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6-4-7(17-16-6)15-8(18)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyBZQRQTMYTGYFGO-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.75
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-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (CID 113433586) is 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is CC(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BZQRQTMYTGYFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(2)6-4-7(17-16-6)15-8(18)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 264.25 g/mol, XLogP of 1.75, 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-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 113433586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).