1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole

C16H16F6N6 — CID 139919697

IUPAC1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole
SMILESFCc1cc(CF)n(C(n2nc(CF)cc2CF)n2nc(CF)cc2CF)n1
InChIInChI=1S/C16H16F6N6/c17-4-10-1-13(7-20)26(23-10)16(27-14(8-21)2-11(5-18)24-27)28-15(9-22)3-12(6-19)25-28/h1-3,16H,4-9H2
InChIKeyOZXNHDYGRYYHBO-UHFFFAOYSA-N
MW406.33 g/mol
LogP3.65
Rot. Bonds9

About 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole

1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole (PubChem CID 139919697) has the molecular formula C16H16F6N6 and a molecular weight of 406.33 g/mol. Its IUPAC name is 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole
PubChem CID139919697
Molecular FormulaC16H16F6N6
Molecular Weight406.33 g/mol
Exact Mass406.13
IUPAC Name1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole
SMILESFCc1cc(CF)n(C(n2nc(CF)cc2CF)n2nc(CF)cc2CF)n1
InChIInChI=1S/C16H16F6N6/c17-4-10-1-13(7-20)26(23-10)16(27-14(8-21)2-11(5-18)24-27)28-15(9-22)3-12(6-19)25-28/h1-3,16H,4-9H2
InChIKeyOZXNHDYGRYYHBO-UHFFFAOYSA-N
XLogP3.65
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole?
The IUPAC name of 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole (CID 139919697) is 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole.
What is the SMILES notation for 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole?
The canonical SMILES for 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole is FCc1cc(CF)n(C(n2nc(CF)cc2CF)n2nc(CF)cc2CF)n1.
What is the InChIKey of 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole?
The InChIKey is OZXNHDYGRYYHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N6/c17-4-10-1-13(7-20)26(23-10)16(27-14(8-21)2-11(5-18)24-27)28-15(9-22)3-12(6-19)25-28/h1-3,16H,4-9H2.
What are the key properties of 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole?
1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole has a molecular weight of 406.33 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-3,5-bis(fluoromethyl)pyrazole is sourced from PubChem (CID 139919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).