ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate

C8H10F2N2O3 — CID 19754724

IUPACethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1OC(F)F
InChIInChI=1S/C8H10F2N2O3/c1-3-14-7(13)5-4-12(2)11-6(5)15-8(9)10/h4,8H,3H2,1-2H3
InChIKeyMPZWXXQRLJUWFY-UHFFFAOYSA-N
MW220.17 g/mol
LogP1.20
Rot. Bonds4

About ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate

ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate (PubChem CID 19754724) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate
PubChem CID19754724
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Nameethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1OC(F)F
InChIInChI=1S/C8H10F2N2O3/c1-3-14-7(13)5-4-12(2)11-6(5)15-8(9)10/h4,8H,3H2,1-2H3
InChIKeyMPZWXXQRLJUWFY-UHFFFAOYSA-N
XLogP1.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CID 14329435
3-Methoxy-1-prop-2-enylpyrazole-4-carboxylic acid
CID 44307222
5-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CID 14329432
3-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde
CID 57440996
5-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde
CID 83479070
3-Methoxy-1-(3-methylbut-2-enyl)pyrazole-4-carboxylic acid
CID 44307221
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
ethyl 1-(difluoromethyl)-1H-pyrazole-4-carboxylate
CID 14616551
ethyl 1-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 14616553
1-O-tert-butyl 4-O-ethyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1,4-dicarboxylate
CID 134587435
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate (CID 19754724) is ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1OC(F)F.
What is the InChIKey of ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate?
The InChIKey is MPZWXXQRLJUWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-3-14-7(13)5-4-12(2)11-6(5)15-8(9)10/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate?
ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate has a molecular weight of 220.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethoxy)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 19754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).