3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole

C10H6F4N2 — CID 762931

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyNDVPIRBTOQYYHD-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.23
Rot. Bonds1

About 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole

3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 762931) has the molecular formula C10H6F4N2 and a molecular weight of 230.16 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID762931
Molecular FormulaC10H6F4N2
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKeyNDVPIRBTOQYYHD-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-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

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
3-methyl-1H-indazole
CID 820804
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 762931) is 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is Fc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NDVPIRBTOQYYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole?
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 230.16 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 762931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).