2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide

C12H17F3N4O — CID 177043315

IUPAC2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCn1cc(NC(=O)C(N)CC2CC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H17F3N4O/c1-19-6-9(5-17-19)18-11(20)10(16)4-7-2-8(3-7)12(13,14)15/h5-8,10H,2-4,16H2,1H3,(H,18,20)
InChIKeyXHQVJVQVJGDGIK-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide

2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide (PubChem CID 177043315) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide
PubChem CID177043315
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCn1cc(NC(=O)C(N)CC2CC(C(F)(F)F)C2)cn1
InChIInChI=1S/C12H17F3N4O/c1-19-6-9(5-17-19)18-11(20)10(16)4-7-2-8(3-7)12(13,14)15/h5-8,10H,2-4,16H2,1H3,(H,18,20)
InChIKeyXHQVJVQVJGDGIK-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.66
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-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The IUPAC name of 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide (CID 177043315) is 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide.
What is the SMILES notation for 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The canonical SMILES for 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide is Cn1cc(NC(=O)C(N)CC2CC(C(F)(F)F)C2)cn1.
What is the InChIKey of 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
The InChIKey is XHQVJVQVJGDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-19-6-9(5-17-19)18-11(20)10(16)4-7-2-8(3-7)12(13,14)15/h5-8,10H,2-4,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide?
2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)cyclobutyl]propanamide is sourced from PubChem (CID 177043315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).