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

C25H18F6N6 — CID 118864143

IUPAC3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole
SMILESFc1ccc(-c2cnn(Cc3cc(Cn4ccc(-c5ccc(F)c(C(F)F)c5)n4)[nH]n3)c2)cc1C(F)F
InChIInChI=1S/C25H18F6N6/c26-21-3-1-14(7-19(21)24(28)29)16-10-32-37(11-16)13-18-9-17(33-34-18)12-36-6-5-23(35-36)15-2-4-22(27)20(8-15)25(30)31/h1-11,24-25H,12-13H2,(H,33,34)
InChIKeyBGEGEEMDZPHRBZ-UHFFFAOYSA-N
MW516.45 g/mol
LogP6.39
Rot. Bonds8

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

3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole (PubChem CID 118864143) has the molecular formula C25H18F6N6 and a molecular weight of 516.45 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole
PubChem CID118864143
Molecular FormulaC25H18F6N6
Molecular Weight516.45 g/mol
Exact Mass516.15
IUPAC Name3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole
SMILESFc1ccc(-c2cnn(Cc3cc(Cn4ccc(-c5ccc(F)c(C(F)F)c5)n4)[nH]n3)c2)cc1C(F)F
InChIInChI=1S/C25H18F6N6/c26-21-3-1-14(7-19(21)24(28)29)16-10-32-37(11-16)13-18-9-17(33-34-18)12-36-6-5-23(35-36)15-2-4-22(27)20(8-15)25(30)31/h1-11,24-25H,12-13H2,(H,33,34)
InChIKeyBGEGEEMDZPHRBZ-UHFFFAOYSA-N
XLogP6.39
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.45
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole?
The IUPAC name of 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole (CID 118864143) is 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole.
What is the SMILES notation for 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole?
The canonical SMILES for 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole is Fc1ccc(-c2cnn(Cc3cc(Cn4ccc(-c5ccc(F)c(C(F)F)c5)n4)[nH]n3)c2)cc1C(F)F.
What is the InChIKey of 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole?
The InChIKey is BGEGEEMDZPHRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N6/c26-21-3-1-14(7-19(21)24(28)29)16-10-32-37(11-16)13-18-9-17(33-34-18)12-36-6-5-23(35-36)15-2-4-22(27)20(8-15)25(30)31/h1-11,24-25H,12-13H2,(H,33,34).
What are the key properties of 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole?
3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole has a molecular weight of 516.45 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-4-fluorophenyl]-1-[[3-[[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]methyl]-1H-pyrazol-5-yl]methyl]pyrazole is sourced from PubChem (CID 118864143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).