ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate

C8H11F2N3O3 — CID 11031831

IUPACethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H11F2N3O3/c1-3-15-8(14)11-5-4-6(13(2)12-5)16-7(9)10/h4,7H,3H2,1-2H3,(H,11,12,14)
InChIKeyBWAJWIKZIDDUDT-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.59
Rot. Bonds4

About ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate

ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate (PubChem CID 11031831) has the molecular formula C8H11F2N3O3 and a molecular weight of 235.19 g/mol. Its IUPAC name is ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate
PubChem CID11031831
Molecular FormulaC8H11F2N3O3
Molecular Weight235.19 g/mol
Exact Mass235.08
IUPAC Nameethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(OC(F)F)n(C)n1
InChIInChI=1S/C8H11F2N3O3/c1-3-15-8(14)11-5-4-6(13(2)12-5)16-7(9)10/h4,7H,3H2,1-2H3,(H,11,12,14)
InChIKeyBWAJWIKZIDDUDT-UHFFFAOYSA-N
XLogP1.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate 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 ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate (CID 11031831) is ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate is CCOC(=O)Nc1cc(OC(F)F)n(C)n1.
What is the InChIKey of ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate?
The InChIKey is BWAJWIKZIDDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O3/c1-3-15-8(14)11-5-4-6(13(2)12-5)16-7(9)10/h4,7H,3H2,1-2H3,(H,11,12,14).
What are the key properties of ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate?
ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate has a molecular weight of 235.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 11031831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).