N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide

C9H14F2N4O2 — CID 103205708

IUPACN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCn1ncc(N)c1NC(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-15-9(6(12)4-13-15)14-8(16)2-3-17-5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,14,16)
InChIKeyXOFIUTUNTOIMGQ-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.61
Rot. Bonds6

About N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide

N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205708) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205708
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCn1ncc(N)c1NC(=O)CCOCC(F)F
InChIInChI=1S/C9H14F2N4O2/c1-15-9(6(12)4-13-15)14-8(16)2-3-17-5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,14,16)
InChIKeyXOFIUTUNTOIMGQ-UHFFFAOYSA-N
XLogP0.61
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103205708) is N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide is Cn1ncc(N)c1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is XOFIUTUNTOIMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-15-9(6(12)4-13-15)14-8(16)2-3-17-5-7(10)11/h4,7H,2-3,5,12H2,1H3,(H,14,16).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 248.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).