2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol

C12H10Cl2F2N2O2 — CID 68711436

IUPAC2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol
SMILESCc1c(C(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2F2N2O2/c1-5-10(11(15)16)17-18(2)12(5)20-9-4-8(19)6(13)3-7(9)14/h3-4,11,19H,1-2H3
InChIKeyFWRGWBJECNKNNV-UHFFFAOYSA-N
MW323.13 g/mol
LogP4.47
Rot. Bonds3

About 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol

2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol (PubChem CID 68711436) has the molecular formula C12H10Cl2F2N2O2 and a molecular weight of 323.13 g/mol. Its IUPAC name is 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol.

Molecular Properties

Compound Name2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol
PubChem CID68711436
Molecular FormulaC12H10Cl2F2N2O2
Molecular Weight323.13 g/mol
Exact Mass322.01
IUPAC Name2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol
SMILESCc1c(C(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2F2N2O2/c1-5-10(11(15)16)17-18(2)12(5)20-9-4-8(19)6(13)3-7(9)14/h3-4,11,19H,1-2H3
InChIKeyFWRGWBJECNKNNV-UHFFFAOYSA-N
XLogP4.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol?
The IUPAC name of 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol (CID 68711436) is 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol.
What is the SMILES notation for 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol?
The canonical SMILES for 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol is Cc1c(C(F)F)nn(C)c1Oc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol?
The InChIKey is FWRGWBJECNKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F2N2O2/c1-5-10(11(15)16)17-18(2)12(5)20-9-4-8(19)6(13)3-7(9)14/h3-4,11,19H,1-2H3.
What are the key properties of 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol?
2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol has a molecular weight of 323.13 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[3-(difluoromethyl)-1,4-dimethylpyrazol-5-yl]oxyphenol is sourced from PubChem (CID 68711436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).