1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole

C22H24F2N2 — CID 134401299

IUPAC1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole
SMILESCCCC(CC)c1cc(-c2ccc(F)c(F)c2)ccc1-n1ccc(C)n1
InChIInChI=1S/C22H24F2N2/c1-4-6-16(5-2)19-13-17(18-7-9-20(23)21(24)14-18)8-10-22(19)26-12-11-15(3)25-26/h7-14,16H,4-6H2,1-3H3
InChIKeyFZKRNGXLOSXQDM-UHFFFAOYSA-N
MW354.44 g/mol
LogP6.42
Rot. Bonds6

About 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole

1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole (PubChem CID 134401299) has the molecular formula C22H24F2N2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole
PubChem CID134401299
Molecular FormulaC22H24F2N2
Molecular Weight354.44 g/mol
Exact Mass354.19
IUPAC Name1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole
SMILESCCCC(CC)c1cc(-c2ccc(F)c(F)c2)ccc1-n1ccc(C)n1
InChIInChI=1S/C22H24F2N2/c1-4-6-16(5-2)19-13-17(18-7-9-20(23)21(24)14-18)8-10-22(19)26-12-11-15(3)25-26/h7-14,16H,4-6H2,1-3H3
InChIKeyFZKRNGXLOSXQDM-UHFFFAOYSA-N
XLogP6.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole 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-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole?
The IUPAC name of 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole (CID 134401299) is 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole is CCCC(CC)c1cc(-c2ccc(F)c(F)c2)ccc1-n1ccc(C)n1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole?
The InChIKey is FZKRNGXLOSXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2/c1-4-6-16(5-2)19-13-17(18-7-9-20(23)21(24)14-18)8-10-22(19)26-12-11-15(3)25-26/h7-14,16H,4-6H2,1-3H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole?
1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole has a molecular weight of 354.44 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole is sourced from PubChem (CID 134401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).