[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate

C8H10F2N2O3 — CID 90465784

IUPAC[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nn(C)cc1C(F)F
InChIInChI=1S/C8H10F2N2O3/c1-3-14-8(13)15-7-5(6(9)10)4-12(2)11-7/h4,6H,3H2,1-2H3
InChIKeyQPFHBRQHRXCOQD-UHFFFAOYSA-N
MW220.17 g/mol
LogP1.89
Rot. Bonds3

About [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate

[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate (PubChem CID 90465784) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate
PubChem CID90465784
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate
SMILESCCOC(=O)Oc1nn(C)cc1C(F)F
InChIInChI=1S/C8H10F2N2O3/c1-3-14-8(13)15-7-5(6(9)10)4-12(2)11-7/h4,6H,3H2,1-2H3
InChIKeyQPFHBRQHRXCOQD-UHFFFAOYSA-N
XLogP1.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 59340904
[1-(1,1,2,2,2-Pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] hydrogen carbonate
CID 87377974
[1-(1,1,2,2,2-Pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] formate
CID 91071729
5-(Difluoromethoxy)-1,4-dimethylpyrazole
CID 91531384
4-(Difluoromethyl)-5-ethoxy-1-methylpyrazole
CID 118271004
3-Methoxy-1-methyl-4-(trifluoromethyl)pyrazole
CID 140430866
1-(Difluoromethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
CID 141420724
1-(2,2-Difluoroethyl)-4-methyl-5-(trifluoromethoxy)pyrazole
CID 141420728
1-(Difluoromethyl)-4-methyl-5-prop-2-ynoxypyrazole
CID 141420738
5-(Difluoromethoxy)-4-methyl-1-propylpyrazole
CID 141420745
1-Tert-butyl-5-methoxy-4-(trifluoromethyl)pyrazole
CID 146377386
1-Tert-butyl-3-methoxy-4-(trifluoromethyl)pyrazole
CID 146379133

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate?
The IUPAC name of [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate (CID 90465784) is [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate.
What is the SMILES notation for [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate?
The canonical SMILES for [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate is CCOC(=O)Oc1nn(C)cc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate?
The InChIKey is QPFHBRQHRXCOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-3-14-8(13)15-7-5(6(9)10)4-12(2)11-7/h4,6H,3H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate?
[4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate has a molecular weight of 220.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1-methylpyrazol-3-yl] ethyl carbonate is sourced from PubChem (CID 90465784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).