3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole

C16H15F3N4 — CID 118864252

IUPAC3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
SMILESCCn1ccc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)n1
InChIInChI=1S/C16H15F3N4/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-15(17)14(7-11)16(18)19/h3-9,16H,2,10H2,1H3
InChIKeyGBHOKNOTTNNQTQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.89
Rot. Bonds5

About 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole

3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole (PubChem CID 118864252) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
PubChem CID118864252
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole
SMILESCCn1ccc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)n1
InChIInChI=1S/C16H15F3N4/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-15(17)14(7-11)16(18)19/h3-9,16H,2,10H2,1H3
InChIKeyGBHOKNOTTNNQTQ-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole (CID 118864252) is 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole is CCn1ccc(Cn2cc(-c3ccc(F)c(C(F)F)c3)cn2)n1.
What is the InChIKey of 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
The InChIKey is GBHOKNOTTNNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-2-22-6-5-13(21-22)10-23-9-12(8-20-23)11-3-4-15(17)14(7-11)16(18)19/h3-9,16H,2,10H2,1H3.
What are the key properties of 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole?
3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole has a molecular weight of 320.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 118864252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).