2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol

C15H10Cl2N2O — CID 135980484

IUPAC2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cccc1C1=NN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-4-9(5-7-10)13-8-14(19-18-13)11-2-1-3-12(17)15(11)20/h1-7,20H,8H2
InChIKeyPCGJBNACILNTHW-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol

2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol (PubChem CID 135980484) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
PubChem CID135980484
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cccc1C1=NN=C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-4-9(5-7-10)13-8-14(19-18-13)11-2-1-3-12(17)15(11)20/h1-7,20H,8H2
InChIKeyPCGJBNACILNTHW-UHFFFAOYSA-N
XLogP4.30
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Analyze 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980482
6-Benzyl-2-chlorophenol
CID 3016021
2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol
CID 135703129
2-[(E)-[3-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenol
CID 136254192
4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961612
2,4-dichloro-6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]phenol
CID 135445489
Methanone, (3-chloro-2-hydroxy-5-nonylphenyl)phenyl-, oxime, (1Z)-
CID 135686405
Methanone, (3-chloro-2-hydroxy-5-nonylphenyl)phenyl-, oxime, (1E)-
CID 135764824
2-Hydroxy-3-chloro-5-nonyl-benzophenone oxime
CID 108868
2,2'-((1e,1'e)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene))bis(4-chlorophenol)
CID 135699593
4-Chloro-2-(2-phenylethanimidoyl)phenol
CID 136649545
2-(Methyl-alpha-iminoethyl)-4,6-dichlorophenol
CID 137130118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol?
The IUPAC name of 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol (CID 135980484) is 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol is Oc1c(Cl)cccc1C1=NN=C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol?
The InChIKey is PCGJBNACILNTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-4-9(5-7-10)13-8-14(19-18-13)11-2-1-3-12(17)15(11)20/h1-7,20H,8H2.
What are the key properties of 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol?
2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol has a molecular weight of 305.16 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135980484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).