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

C9H6ClFN2O — CID 12859030

IUPAC5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C9H6ClFN2O/c10-6-3-1-5(2-4-6)8-7(11)9(14)13-12-8/h1-4H,(H2,12,13,14)
InChIKeyKFXMDMFVMVDSEX-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.16
Rot. Bonds1

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

5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one (PubChem CID 12859030) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one
PubChem CID12859030
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C9H6ClFN2O/c10-6-3-1-5(2-4-6)8-7(11)9(14)13-12-8/h1-4H,(H2,12,13,14)
InChIKeyKFXMDMFVMVDSEX-UHFFFAOYSA-N
XLogP2.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one (CID 12859030) is 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one?
The InChIKey is KFXMDMFVMVDSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-3-1-5(2-4-6)8-7(11)9(14)13-12-8/h1-4H,(H2,12,13,14).
What are the key properties of 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one?
5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one has a molecular weight of 212.61 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 12859030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).