5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol

C15H10Cl2N2O — CID 170556882

IUPAC5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-7-11(12(17)8-10)14-15(20)13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19)
InChIKeyGODMXPSSXLDDAO-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.76
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol

5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 170556882) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID170556882
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-7-11(12(17)8-10)14-15(20)13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19)
InChIKeyGODMXPSSXLDDAO-UHFFFAOYSA-N
XLogP4.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol (CID 170556882) is 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is GODMXPSSXLDDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-7-11(12(17)8-10)14-15(20)13(18-19-14)9-4-2-1-3-5-9/h1-8,20H,(H,18,19).
What are the key properties of 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol?
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 305.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 170556882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).