4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole

C7H7F5N2 — CID 118357698

IUPAC4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F5N2/c1-2-14-3-4(6(8)9)5(13-14)7(10,11)12/h3,6H,2H2,1H3
InChIKeyDAJUHTJUFYPAJY-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.86
Rot. Bonds2

About 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole

4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357698) has the molecular formula C7H7F5N2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID118357698
Molecular FormulaC7H7F5N2
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F5N2/c1-2-14-3-4(6(8)9)5(13-14)7(10,11)12/h3,6H,2H2,1H3
InChIKeyDAJUHTJUFYPAJY-UHFFFAOYSA-N
XLogP2.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)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

1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162175
1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
CID 118357705
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 135215875
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole;[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165035595
3-tert-butyl-1-ethyl-4-fluoropyrazole
CID 146379463
1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
CID 167075132
3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-fluoro-4-iodophenol
CID 166491478
3-bromo-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]aniline
CID 166491526
3-bromo-2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenol
CID 166491213
ethane;4-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 143746140

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole (CID 118357698) is 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole is CCn1cc(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DAJUHTJUFYPAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2/c1-2-14-3-4(6(8)9)5(13-14)7(10,11)12/h3,6H,2H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 214.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).