5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole

C11H10F2N2 — CID 2805452

IUPAC5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2/c1-2-7-6-14-15-11(7)10-8(12)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyKTPDJTLGHWSVFU-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.92
Rot. Bonds2

About 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole

5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole (PubChem CID 2805452) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
PubChem CID2805452
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
SMILESCCc1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C11H10F2N2/c1-2-7-6-14-15-11(7)10-8(12)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyKTPDJTLGHWSVFU-UHFFFAOYSA-N
XLogP2.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-benzhydryl-1H-pyrazole
CID 2806015
2,4-Dihydroindeno(1,2-C)pyrazole
CID 3392643
7-Methyl-1H-indazole
CID 820797
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-Bromo-3-phenyl-1H-pyrazole
CID 5324572

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole?
The IUPAC name of 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole (CID 2805452) is 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole is CCc1cn[nH]c1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole?
The InChIKey is KTPDJTLGHWSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-2-7-6-14-15-11(7)10-8(12)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole?
5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole has a molecular weight of 208.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole is sourced from PubChem (CID 2805452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).