ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate

C19H16F2N2O2 — CID 14699553

IUPACethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16F2N2O2/c1-2-25-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(21)10-6-14/h3-11H,2,12H2,1H3
InChIKeyKDZXBZSOASWDES-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.06
Rot. Bonds5

About ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate

ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate (PubChem CID 14699553) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate
PubChem CID14699553
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16F2N2O2/c1-2-25-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(21)10-6-14/h3-11H,2,12H2,1H3
InChIKeyKDZXBZSOASWDES-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 2565969
Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
CID 73507351
CID 73507351
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(2,3-difluorophenyl)indazol-1-yl]acetate
CID 73506477
ethyl (4-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-morpholinyl)acetate
CID 16189986
Methyl 2-[3-(2,4-difluorophenyl)indazol-1-yl]acetate
CID 73506913
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
ethyl 2-[3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetate
CID 164628567
ethyl 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidine-2-carboxylate
CID 16187266
Ethyl 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]acetate
CID 135371771

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate (CID 14699553) is ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The InChIKey is KDZXBZSOASWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-2-25-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(21)10-6-14/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate has a molecular weight of 342.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,4-bis(4-fluorophenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 14699553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).