1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole

C14H16F2N2O — CID 67129327

IUPAC1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole
SMILESCOc1cccc(-c2c(C)nn(C(F)F)c2C)c1C
InChIInChI=1S/C14H16F2N2O/c1-8-11(6-5-7-12(8)19-4)13-9(2)17-18(10(13)3)14(15)16/h5-7,14H,1-4H3
InChIKeyJQEMIVBHFMKDGK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.88
Rot. Bonds3

About 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole

1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole (PubChem CID 67129327) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole
PubChem CID67129327
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole
SMILESCOc1cccc(-c2c(C)nn(C(F)F)c2C)c1C
InChIInChI=1S/C14H16F2N2O/c1-8-11(6-5-7-12(8)19-4)13-9(2)17-18(10(13)3)14(15)16/h5-7,14H,1-4H3
InChIKeyJQEMIVBHFMKDGK-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole 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 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole (CID 67129327) is 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole is COc1cccc(-c2c(C)nn(C(F)F)c2C)c1C.
What is the InChIKey of 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole?
The InChIKey is JQEMIVBHFMKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-8-11(6-5-7-12(8)19-4)13-9(2)17-18(10(13)3)14(15)16/h5-7,14H,1-4H3.
What are the key properties of 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole?
1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole has a molecular weight of 266.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(3-methoxy-2-methylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 67129327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).