4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one

C10H8F2N2O — CID 12859038

IUPAC4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(F)cc2)c(F)c1=O
InChIInChI=1S/C10H8F2N2O/c1-14-10(15)8(12)9(13-14)6-2-4-7(11)5-3-6/h2-5,13H,1H3
InChIKeyLXQHMTNCPMKEMQ-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.66
Rot. Bonds1

About 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one

4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 12859038) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one
PubChem CID12859038
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccc(F)cc2)c(F)c1=O
InChIInChI=1S/C10H8F2N2O/c1-14-10(15)8(12)9(13-14)6-2-4-7(11)5-3-6/h2-5,13H,1H3
InChIKeyLXQHMTNCPMKEMQ-UHFFFAOYSA-N
XLogP1.66
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1H-pyrazol-5-ol
CID 594763
3-(4-fluorophenyl)-1H-pyrazol-5-ol
CID 1202215
1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
5-Methyl-2-(3-phenylpropyl)-2,3-dihydro-1H-pyrazol-3-one
CID 3715236
3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile
CID 2054802
4-Amino-5-phenyl-1,2-dihydropyrazol-3-one
CID 283919
1-methyl-3-phenyl-1H-pyrazol-5-ol
CID 2763504
4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 4715335
4-(2-aminoethyl)-5-(4-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-one
CID 4715336
4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
CID 10176462
4-[(2,4-Difluorophenyl)methyl]-5-propyl-1,2-dihydropyrazol-3-one
CID 172435295
4-Fluoro-3-hydroxy-5-phenylpyrazole
CID 12859028

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one (CID 12859038) is 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(-c2ccc(F)cc2)c(F)c1=O.
What is the InChIKey of 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is LXQHMTNCPMKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-14-10(15)8(12)9(13-14)6-2-4-7(11)5-3-6/h2-5,13H,1H3.
What are the key properties of 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one?
4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 210.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 12859038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).