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

C9H13F2N3O2 — CID 103209305

IUPAC3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CCOCC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-6-4-12-14-9(6)13-8(15)2-3-16-5-7(10)11/h4,7H,2-3,5H2,1H3,(H2,12,13,14,15)
InChIKeyXTIBJZPCIKQFPY-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.33
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide (PubChem CID 103209305) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
PubChem CID103209305
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CCOCC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-6-4-12-14-9(6)13-8(15)2-3-16-5-7(10)11/h4,7H,2-3,5H2,1H3,(H2,12,13,14,15)
InChIKeyXTIBJZPCIKQFPY-UHFFFAOYSA-N
XLogP1.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-N-(1-isobutyl-4-methyl-1H-pyrazol-5-yl)propanamide
CID 132412401
N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61393710
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749
N-(4-carbamothioyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79503980
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205495
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2,2-difluoroethoxy)propanamide
CID 103205496
N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205706
N-(4-cyano-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208286
N-(4-cyano-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208288
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208297
N-(4-cyano-1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208298
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208461

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide (CID 103209305) is 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide is Cc1cn[nH]c1NC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is XTIBJZPCIKQFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-6-4-12-14-9(6)13-8(15)2-3-16-5-7(10)11/h4,7H,2-3,5H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 233.22 g/mol, XLogP of 1.33, 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-methyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 103209305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).