2-(4-chlorophenyl)-1H-pyrazol-5-one

C9H7ClN2O — CID 11356026

IUPAC2-(4-chlorophenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13)
InChIKeyDRENHOMDLNJDOG-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.82
Rot. Bonds1

About 2-(4-chlorophenyl)-1H-pyrazol-5-one

2-(4-chlorophenyl)-1H-pyrazol-5-one (PubChem CID 11356026) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1H-pyrazol-5-one
PubChem CID11356026
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-(4-chlorophenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13)
InChIKeyDRENHOMDLNJDOG-UHFFFAOYSA-N
XLogP1.82
TPSA37.79 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 594724
1-(4-Chlorophenyl)pyrazolidin-3-one
CID 2801550
1-(3-Chloro-phenyl)-pyrazolidin-3-one
CID 767605
5-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601102
5-[(3,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601243
5-[(2,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601244
4-Amino-1-(4-chlorophenyl)pyridin-2-one
CID 664356
4,5-dichloro-2-(4-chlorophenyl)-6-hydroxy-3(2H)-pyridazinone
CID 2223644
1-(2-chlorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 736171
1-(4-chlorophenyl)-3-propyl-1H-pyrazol-5-ol
CID 16422931
5-[3-(3,5-dichloro-N-methylanilino)propyl]-1,2-dihydropyrazol-3-one
CID 71601384
2371-31-5
CID 302647

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-1H-pyrazol-5-one (CID 11356026) is 2-(4-chlorophenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-1H-pyrazol-5-one is O=c1ccn(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-1H-pyrazol-5-one?
The InChIKey is DRENHOMDLNJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13).
What are the key properties of 2-(4-chlorophenyl)-1H-pyrazol-5-one?
2-(4-chlorophenyl)-1H-pyrazol-5-one has a molecular weight of 194.62 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 11356026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).