4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one

C10H9FN2O — CID 12859029

IUPAC4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
SMILESCc1ccc(-c2[nH][nH]c(=O)c2F)cc1
InChIInChI=1S/C10H9FN2O/c1-6-2-4-7(5-3-6)9-8(11)10(14)13-12-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyCSEYAVURNUICRP-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.82
Rot. Bonds1

About 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one

4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one (PubChem CID 12859029) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
PubChem CID12859029
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
SMILESCc1ccc(-c2[nH][nH]c(=O)c2F)cc1
InChIInChI=1S/C10H9FN2O/c1-6-2-4-7(5-3-6)9-8(11)10(14)13-12-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyCSEYAVURNUICRP-UHFFFAOYSA-N
XLogP1.82
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-Phenyl-1H-pyrazol-5-ol
CID 594763
3-(4-fluorophenyl)-1H-pyrazol-5-ol
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CID 2113959
3-(4-Isobutylphenyl)-1H-pyrazol-5-ol
CID 599736
3-(2,4-Dimethylphenyl)-1H-pyrazol-5-ol
CID 604735
5-(4-Cyclohexylphenyl)-1,2-dihydropyrazol-3-one
CID 713719
4,5-Diphenyl-1,2-dihydropyrazol-3-one
CID 256016
6-(4-fluorophenyl)-4-hydroxypyridazin-3(2H)-one
CID 73507310
5-Phenethyl-2H-pyrazol-3-ol
CID 1518883
4-Benzyl-1,2-dihydro-5-methyl-3H-pyrazol-3-one
CID 6922806
5-(4-aminophenyl)-2,3-dihydro-1H-pyrazol-3-one
CID 11600758
4-Amino-5-phenyl-1,2-dihydropyrazol-3-one
CID 283919

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one (CID 12859029) is 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one is Cc1ccc(-c2[nH][nH]c(=O)c2F)cc1.
What is the InChIKey of 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is CSEYAVURNUICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-2-4-7(5-3-6)9-8(11)10(14)13-12-9/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one?
4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 12859029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).