tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate

C10H15F2N3O3 — CID 122678085

IUPACtert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)c(OC(F)F)n1
InChIInChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-15(4)14-7(6)17-8(11)12/h5,8H,1-4H3,(H,13,16)
InChIKeyIDCWPRAABPGIFW-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate

tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate (PubChem CID 122678085) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate
PubChem CID122678085
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Nametert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)c(OC(F)F)n1
InChIInChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-15(4)14-7(6)17-8(11)12/h5,8H,1-4H3,(H,13,16)
InChIKeyIDCWPRAABPGIFW-UHFFFAOYSA-N
XLogP2.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate (CID 122678085) is tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate is Cn1cc(NC(=O)OC(C)(C)C)c(OC(F)F)n1.
What is the InChIKey of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate?
The InChIKey is IDCWPRAABPGIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-15(4)14-7(6)17-8(11)12/h5,8H,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate?
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate has a molecular weight of 263.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate is sourced from PubChem (CID 122678085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).