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

C9H7ClN2O — CID 705264

IUPAC5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccc2Cl)[nH][nH]1
InChIInChI=1S/C9H7ClN2O/c10-7-4-2-1-3-6(7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
InChIKeyMDKNFNFRPVVRGC-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.02
Rot. Bonds1

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

5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one (PubChem CID 705264) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one
PubChem CID705264
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccc2Cl)[nH][nH]1
InChIInChI=1S/C9H7ClN2O/c10-7-4-2-1-3-6(7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
InChIKeyMDKNFNFRPVVRGC-UHFFFAOYSA-N
XLogP2.02
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one (CID 705264) is 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccccc2Cl)[nH][nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is MDKNFNFRPVVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-4-2-1-3-6(7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13).
What are the key properties of 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one?
5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 194.62 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 705264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).