4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole

C15H13F3N4 — CID 118864450

IUPAC4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole
SMILESFc1ccc(-c2cnn(CCc3cn[nH]c3)c2)cc1C(F)F
InChIInChI=1S/C15H13F3N4/c16-14-2-1-11(5-13(14)15(17)18)12-8-21-22(9-12)4-3-10-6-19-20-7-10/h1-2,5-9,15H,3-4H2,(H,19,20)
InChIKeyJPDCMOOBLLIEFK-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.59
Rot. Bonds5

About 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole

4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole (PubChem CID 118864450) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole
PubChem CID118864450
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole
SMILESFc1ccc(-c2cnn(CCc3cn[nH]c3)c2)cc1C(F)F
InChIInChI=1S/C15H13F3N4/c16-14-2-1-11(5-13(14)15(17)18)12-8-21-22(9-12)4-3-10-6-19-20-7-10/h1-2,5-9,15H,3-4H2,(H,19,20)
InChIKeyJPDCMOOBLLIEFK-UHFFFAOYSA-N
XLogP3.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole?
The IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole (CID 118864450) is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole?
The canonical SMILES for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole is Fc1ccc(-c2cnn(CCc3cn[nH]c3)c2)cc1C(F)F.
What is the InChIKey of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole?
The InChIKey is JPDCMOOBLLIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c16-14-2-1-11(5-13(14)15(17)18)12-8-21-22(9-12)4-3-10-6-19-20-7-10/h1-2,5-9,15H,3-4H2,(H,19,20).
What are the key properties of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole?
4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole has a molecular weight of 306.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[2-(1H-pyrazol-4-yl)ethyl]pyrazole is sourced from PubChem (CID 118864450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).