ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate

C12H10F2N2O2 — CID 135154885

IUPACethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H10F2N2O2/c1-2-18-12(17)8-6-15-16(7-8)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3
InChIKeyAFCWAFUBUSJFMC-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.33
Rot. Bonds3

About ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate

ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate (PubChem CID 135154885) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
PubChem CID135154885
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Nameethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H10F2N2O2/c1-2-18-12(17)8-6-15-16(7-8)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3
InChIKeyAFCWAFUBUSJFMC-UHFFFAOYSA-N
XLogP2.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxylate
CID 81499120
ethyl 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrazole-4-carboxylate
CID 81497688
ethyl 1-[(2-amino-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 81498624
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 4-chloro-1-(2,6-difluorophenyl)pyrazole-3-carboxylate
CID 155290443
ethyl 1-(2-fluoro-6-methoxy-3-nitrophenyl)pyrazole-4-carboxylate
CID 135154760
ethyl 1-(2-amino-4-bromo-5-fluorophenyl)pyrazole-4-carboxylate
CID 81497470
1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide
CID 114069150
ethyl 1-(2-amino-3-sulfamoylphenyl)pyrazole-4-carboxylate
CID 115992951
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate (CID 135154885) is ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2c(F)cccc2F)c1.
What is the InChIKey of ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate?
The InChIKey is AFCWAFUBUSJFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-2-18-12(17)8-6-15-16(7-8)11-9(13)4-3-5-10(11)14/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate?
ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate has a molecular weight of 252.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 135154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).