3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

C10H15F2N3O2 — CID 103209304

IUPAC3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(NC(=O)CCOCC(F)F)c1C
InChIInChI=1S/C10H15F2N3O2/c1-6-7(2)14-15-10(6)13-9(16)3-4-17-5-8(11)12/h8H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyWWOJBQHCBXFFIA-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.64
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 103209304) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
PubChem CID103209304
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(NC(=O)CCOCC(F)F)c1C
InChIInChI=1S/C10H15F2N3O2/c1-6-7(2)14-15-10(6)13-9(16)3-4-17-5-8(11)12/h8H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyWWOJBQHCBXFFIA-UHFFFAOYSA-N
XLogP1.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (CID 103209304) is 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is Cc1[nH]nc(NC(=O)CCOCC(F)F)c1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is WWOJBQHCBXFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-6-7(2)14-15-10(6)13-9(16)3-4-17-5-8(11)12/h8H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 247.24 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 103209304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).