3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one

C20H20ClF2N5O — CID 90227347

IUPAC3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCCc1c(N2CCC(n3nc(CF)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20ClF2N5O/c1-3-16-18(11-24-28(16)14-6-4-13(23)5-7-14)26-9-8-17(20(26)29)27-12(2)19(21)15(10-22)25-27/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyXFAOFHOEYWOUNV-UHFFFAOYSA-N
MW419.86 g/mol
LogP4.18
Rot. Bonds5

About 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one

3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 90227347) has the molecular formula C20H20ClF2N5O and a molecular weight of 419.86 g/mol. Its IUPAC name is 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID90227347
Molecular FormulaC20H20ClF2N5O
Molecular Weight419.86 g/mol
Exact Mass419.13
IUPAC Name3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCCc1c(N2CCC(n3nc(CF)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20ClF2N5O/c1-3-16-18(11-24-28(16)14-6-4-13(23)5-7-14)26-9-8-17(20(26)29)27-12(2)19(21)15(10-22)25-27/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyXFAOFHOEYWOUNV-UHFFFAOYSA-N
XLogP4.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]pyrrolidin-2-one
CID 122633322
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
CID 122630754
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
CID 90205620
1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210563
3-bromo-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one
CID 86723034
1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
CID 117210560
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
CID 46589101
1-(5-ethyl-1-phenylpyrazol-4-yl)piperazine
CID 117210557
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one (CID 90227347) is 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one is CCc1c(N2CCC(n3nc(CF)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is XFAOFHOEYWOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N5O/c1-3-16-18(11-24-28(16)14-6-4-13(23)5-7-14)26-9-8-17(20(26)29)27-12(2)19(21)15(10-22)25-27/h4-7,11,17H,3,8-10H2,1-2H3.
What are the key properties of 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 419.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90227347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).