3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole

C12H12F2N2 — CID 169107092

IUPAC3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole
SMILESCCc1ccc(C2=NN=C(C(F)F)C2)cc1
InChIInChI=1S/C12H12F2N2/c1-2-8-3-5-9(6-4-8)10-7-11(12(13)14)16-15-10/h3-6,12H,2,7H2,1H3
InChIKeyJGZGFCCYXJYDHO-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.06
Rot. Bonds3

About 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole

3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole (PubChem CID 169107092) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole
PubChem CID169107092
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole
SMILESCCc1ccc(C2=NN=C(C(F)F)C2)cc1
InChIInChI=1S/C12H12F2N2/c1-2-8-3-5-9(6-4-8)10-7-11(12(13)14)16-15-10/h3-6,12H,2,7H2,1H3
InChIKeyJGZGFCCYXJYDHO-UHFFFAOYSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole 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

N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethylsulfanyl]aniline
CID 145239356
N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-1-ethyl-N-methylsulfanylindazol-6-amine
CID 145238390
3,5-dichloro-N-[[5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-2-pyridinyl]methyl]-N-ethylsulfanylaniline
CID 145239193
3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole
CID 174179216
N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-N-[3-(3-fluoropyrrolidin-1-yl)propylsulfanyl]aniline;ethane
CID 145239001
N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-N-[2-[4-(2-ethylphenyl)piperidin-1-yl]ethylsulfanyl]aniline;methane
CID 145238798
3-(4-ethylphenyl)-4H-1,2-oxazol-5-one
CID 130170876
6-(4-ethylphenyl)-2,3,4,5-tetrahydropyridine
CID 151560856
4-chloro-N-[[5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-2-pyridinyl]methyl]-N-[ethyl(methylidene)-λ4-sulfanyl]-3-methylaniline
CID 145238582
N-[(4-cyclobutylpiperazin-1-yl)-methylidene-λ4-sulfanyl]-N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]aniline;methane
CID 145239850
N-[(1-cyclobutylpiperidin-4-yl)-methylidene-λ4-sulfanyl]-N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]-3-methylaniline
CID 145239318
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole?
The IUPAC name of 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole (CID 169107092) is 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole is CCc1ccc(C2=NN=C(C(F)F)C2)cc1.
What is the InChIKey of 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole?
The InChIKey is JGZGFCCYXJYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-2-8-3-5-9(6-4-8)10-7-11(12(13)14)16-15-10/h3-6,12H,2,7H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole?
3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole has a molecular weight of 222.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(4-ethylphenyl)-4H-pyrazole is sourced from PubChem (CID 169107092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).