2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide

C14H20F2N4O — CID 177043199

IUPAC2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(N)CC2CC3(C2)CC(F)(F)C3)cn1
InChIInChI=1S/C14H20F2N4O/c1-20-6-10(5-18-20)19-12(21)11(17)2-9-3-13(4-9)7-14(15,16)8-13/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,19,21)
InChIKeyALAGLVUUSGOFOG-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide

2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 177043199) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID177043199
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(N)CC2CC3(C2)CC(F)(F)C3)cn1
InChIInChI=1S/C14H20F2N4O/c1-20-6-10(5-18-20)19-12(21)11(17)2-9-3-13(4-9)7-14(15,16)8-13/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,19,21)
InChIKeyALAGLVUUSGOFOG-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide (CID 177043199) is 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)C(N)CC2CC3(C2)CC(F)(F)C3)cn1.
What is the InChIKey of 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ALAGLVUUSGOFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-20-6-10(5-18-20)19-12(21)11(17)2-9-3-13(4-9)7-14(15,16)8-13/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,19,21).
What are the key properties of 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide?
2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 177043199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).