2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one

C10H8Cl2N2O — CID 18975620

IUPAC2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one
SMILESO=c1ccn(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C10H8Cl2N2O/c11-8-2-1-3-9(12)7(8)6-14-5-4-10(15)13-14/h1-5H,6H2,(H,13,15)
InChIKeyYDYNGBHQOMWACG-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.53
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one

2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one (PubChem CID 18975620) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one
PubChem CID18975620
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one
SMILESO=c1ccn(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C10H8Cl2N2O/c11-8-2-1-3-9(12)7(8)6-14-5-4-10(15)13-14/h1-5H,6H2,(H,13,15)
InChIKeyYDYNGBHQOMWACG-UHFFFAOYSA-N
XLogP2.53
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one (CID 18975620) is 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one is O=c1ccn(Cc2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one?
The InChIKey is YDYNGBHQOMWACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-8-2-1-3-9(12)7(8)6-14-5-4-10(15)13-14/h1-5H,6H2,(H,13,15).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one?
2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one has a molecular weight of 243.09 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-5-one is sourced from PubChem (CID 18975620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).