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

C9H7ClN2O — CID 4778793

IUPAC3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChIKeyNHTDROBHTXFJCI-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.56
Rot. Bonds1

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

3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one (PubChem CID 4778793) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
PubChem CID4778793
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChIKeyNHTDROBHTXFJCI-UHFFFAOYSA-N
XLogP1.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one (CID 4778793) is 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one is O=C1CC(c2ccc(Cl)cc2)=NN1.
What is the InChIKey of 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one?
The InChIKey is NHTDROBHTXFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-4H,5H2,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one?
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one has a molecular weight of 194.62 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 4778793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).