2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol

C11H8Cl2F3N3O2 — CID 18519625

IUPAC2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2c(F)cc(Cl)c(O)c2N)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F3N3O2/c1-19-10(21-11(15)16)6(13)8(18-19)5-4(14)2-3(12)9(20)7(5)17/h2,11,20H,17H2,1H3
InChIKeyVMZRMVJKEQCUFF-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol

2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol (PubChem CID 18519625) has the molecular formula C11H8Cl2F3N3O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
PubChem CID18519625
Molecular FormulaC11H8Cl2F3N3O2
Molecular Weight342.10 g/mol
Exact Mass340.99
IUPAC Name2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2c(F)cc(Cl)c(O)c2N)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F3N3O2/c1-19-10(21-11(15)16)6(13)8(18-19)5-4(14)2-3(12)9(20)7(5)17/h2,11,20H,17H2,1H3
InChIKeyVMZRMVJKEQCUFF-UHFFFAOYSA-N
XLogP3.42
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol 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

4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278581
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672198
4-Chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 15672199
4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672200
3-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
CID 18364647
4-chloro-3-(4-chloro-6-fluoro-3-methoxy-2-nitrophenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 18615631
1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole
CID 18615648
4-chloro-3-(2-amino-4-chloro-6-fluoro-3-methoxyphenyl)-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 18615659
[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenyl] ethaneperoxoate
CID 22274934

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The IUPAC name of 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol (CID 18519625) is 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol is Cn1nc(-c2c(F)cc(Cl)c(O)c2N)c(Cl)c1OC(F)F.
What is the InChIKey of 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
The InChIKey is VMZRMVJKEQCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O2/c1-19-10(21-11(15)16)6(13)8(18-19)5-4(14)2-3(12)9(20)7(5)17/h2,11,20H,17H2,1H3.
What are the key properties of 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol?
2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol has a molecular weight of 342.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 18519625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).