1-(2,4-dichlorophenyl)pyrazol-4-ol

C9H6Cl2N2O — CID 2763973

IUPAC1-(2,4-dichlorophenyl)pyrazol-4-ol
SMILESOc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H
InChIKeyKNOFJPJDYVWHSP-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.88
Rot. Bonds1

About 1-(2,4-dichlorophenyl)pyrazol-4-ol

1-(2,4-dichlorophenyl)pyrazol-4-ol (PubChem CID 2763973) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)pyrazol-4-ol
PubChem CID2763973
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name1-(2,4-dichlorophenyl)pyrazol-4-ol
SMILESOc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H
InChIKeyKNOFJPJDYVWHSP-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)pyrazol-4-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)pyrazol-4-ol (CID 2763973) is 1-(2,4-dichlorophenyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)pyrazol-4-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)pyrazol-4-ol is Oc1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)pyrazol-4-ol?
The InChIKey is KNOFJPJDYVWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H.
What are the key properties of 1-(2,4-dichlorophenyl)pyrazol-4-ol?
1-(2,4-dichlorophenyl)pyrazol-4-ol has a molecular weight of 229.07 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)pyrazol-4-ol is sourced from PubChem (CID 2763973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).