6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C19H17FN2O — CID 102179225

IUPAC6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESCc1cccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)c1
InChIInChI=1S/C19H17FN2O/c1-13-4-2-5-15(12-13)18-17(14-6-8-16(20)9-7-14)19(23)22-11-3-10-21(18)22/h2,4-9,12H,3,10-11H2,1H3
InChIKeyTWBJVRJCYWWHKN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.84
Rot. Bonds2

About 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 102179225) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID102179225
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESCc1cccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)c1
InChIInChI=1S/C19H17FN2O/c1-13-4-2-5-15(12-13)18-17(14-6-8-16(20)9-7-14)19(23)22-11-3-10-21(18)22/h2,4-9,12H,3,10-11H2,1H3
InChIKeyTWBJVRJCYWWHKN-UHFFFAOYSA-N
XLogP3.84
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-Fluorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-YL]ethan-1-one
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2-(3-Fluorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-YL]ethan-1-one
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CID 50747368
3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(2-phenylethyl)benzamide hydrochloride
CID 2862070
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CID 3124974
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CID 16116866
2-[1-(3-fluorophenyl)ethyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 20335846
2-[1-(4-fluorophenyl)ethyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 20335875
2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769168
(4s,7r)-2-(4-Fluoro-benzyl)-1,7,8,8-tetramethyl-1,2,4,5,6,7-hexahydro-4,7-methano-indazol-3-one
CID 57941344

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 102179225) is 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is Cc1cccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)c1.
What is the InChIKey of 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is TWBJVRJCYWWHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13-4-2-5-15(12-13)18-17(14-6-8-16(20)9-7-14)19(23)22-11-3-10-21(18)22/h2,4-9,12H,3,10-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 308.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7-(3-methylphenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 102179225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).