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

C10H15F2N3O3 — CID 156696295

IUPACtert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(OC(F)F)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-7(14-15(6)4)17-8(11)12/h5,8H,1-4H3,(H,13,16)
InChIKeyWAVPOGKXYHWGAI-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.37
Rot. Bonds3

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

tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate (PubChem CID 156696295) 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-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
PubChem CID156696295
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Nametert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
SMILESCn1nc(OC(F)F)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-7(14-15(6)4)17-8(11)12/h5,8H,1-4H3,(H,13,16)
InChIKeyWAVPOGKXYHWGAI-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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Related Compounds

tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
CID 177331060
tert-butyl N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate;ethane
CID 142322185
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-[[2-(difluoromethoxy)-4-pyridinyl]methyl]carbamate
CID 59461467
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
tert-butyl N-[4-(difluoromethoxy)-2,5-difluorophenyl]carbamate
CID 177334338
tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
CID 171512305
tert-butyl N-[1-methyl-5-[(propan-2-ylamino)methyl]pyrazol-3-yl]carbamate
CID 165457492
tert-butyl N-[2-(2,2-difluoroethyl)pyrazol-3-yl]carbamate
CID 163333219
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate (CID 156696295) is tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate is Cn1nc(OC(F)F)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is WAVPOGKXYHWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-10(2,3)18-9(16)13-6-5-7(14-15(6)4)17-8(11)12/h5,8H,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate?
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-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-5-yl]carbamate is sourced from PubChem (CID 156696295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).