ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate

C19H15ClF2N2O2 — CID 19587085

IUPACethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClF2N2O2/c1-2-26-16(25)11-24-19(13-5-9-15(22)10-6-13)17(20)18(23-24)12-3-7-14(21)8-4-12/h3-10H,2,11H2,1H3
InChIKeyMNDIMTUKYPSRKT-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.71
Rot. Bonds5

About ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate

ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate (PubChem CID 19587085) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate
PubChem CID19587085
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Nameethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClF2N2O2/c1-2-26-16(25)11-24-19(13-5-9-15(22)10-6-13)17(20)18(23-24)12-3-7-14(21)8-4-12/h3-10H,2,11H2,1H3
InChIKeyMNDIMTUKYPSRKT-UHFFFAOYSA-N
XLogP4.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
Methyl 2-[3-(2,4-difluorophenyl)indazol-1-yl]acetate
CID 73506913
Methyl 2-[3-(2-chlorophenyl)indazol-1-yl]acetate
CID 73506259
ethyl 2-[3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetate
CID 164628567
Methyl 2-[3-(4-chlorophenyl)indazol-1-yl]acetate
CID 46856253
Ethyl 2-[4-[(2,6-dichlorophenyl)methyl]-3-ethyl-5-methylpyrazol-1-yl]acetate
CID 172435901
Ethyl 2-[4-[(2,6-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]acetate
CID 172436134
4-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]morpholine
CID 1480828
Ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11243877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate (CID 19587085) is ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
The InChIKey is MNDIMTUKYPSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c1-2-26-16(25)11-24-19(13-5-9-15(22)10-6-13)17(20)18(23-24)12-3-7-14(21)8-4-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate?
ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate has a molecular weight of 376.79 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 19587085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).