4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole

C16H15F3N4 — CID 118864473

IUPAC4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
SMILESCCc1[nH]ncc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C16H15F3N4/c1-2-15-12(6-20-22-15)9-23-8-11(7-21-23)10-3-4-14(17)13(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
InChIKeyWJDFZNSBELJCKM-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.96
Rot. Bonds5

About 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole

4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole (PubChem CID 118864473) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
PubChem CID118864473
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
SMILESCCc1[nH]ncc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C16H15F3N4/c1-2-15-12(6-20-22-15)9-23-8-11(7-21-23)10-3-4-14(17)13(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
InChIKeyWJDFZNSBELJCKM-UHFFFAOYSA-N
XLogP3.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.96
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-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole (CID 118864473) is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole is CCc1[nH]ncc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1.
What is the InChIKey of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
The InChIKey is WJDFZNSBELJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-2-15-12(6-20-22-15)9-23-8-11(7-21-23)10-3-4-14(17)13(5-10)16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22).
What are the key properties of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole?
4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole has a molecular weight of 320.32 g/mol, XLogP of 3.96, 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-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 118864473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).