N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide

C9H14F2N4O — CID 114383611

IUPACN-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
SMILESNCC(F)(F)CNC(=O)CCn1cccn1
InChIInChI=1S/C9H14F2N4O/c10-9(11,6-12)7-13-8(16)2-5-15-4-1-3-14-15/h1,3-4H,2,5-7,12H2,(H,13,16)
InChIKeyKJLUKLGZFSGGGG-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.02
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide

N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide (PubChem CID 114383611) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
PubChem CID114383611
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
SMILESNCC(F)(F)CNC(=O)CCn1cccn1
InChIInChI=1S/C9H14F2N4O/c10-9(11,6-12)7-13-8(16)2-5-15-4-1-3-14-15/h1,3-4H,2,5-7,12H2,(H,13,16)
InChIKeyKJLUKLGZFSGGGG-UHFFFAOYSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide (CID 114383611) is N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide is NCC(F)(F)CNC(=O)CCn1cccn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is KJLUKLGZFSGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-9(11,6-12)7-13-8(16)2-5-15-4-1-3-14-15/h1,3-4H,2,5-7,12H2,(H,13,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide?
N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 232.23 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 114383611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).