1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole

C27H18F6N8 — CID 58704649

IUPAC1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
SMILESFC(F)(F)c1ccn(-c2ccn(C(c3ccccc3)(c3ccccc3)n3ccc(-n4ccc(C(F)(F)F)n4)n3)n2)n1
InChIInChI=1S/C27H18F6N8/c28-26(29,30)21-11-15-38(34-21)23-13-17-40(36-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)41-18-14-24(37-41)39-16-12-22(35-39)27(31,32)33/h1-18H
InChIKeyJYNBEMDBGHTVJH-UHFFFAOYSA-N
MW568.49 g/mol
LogP5.79
Rot. Bonds6

About 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole

1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole (PubChem CID 58704649) has the molecular formula C27H18F6N8 and a molecular weight of 568.49 g/mol. Its IUPAC name is 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole.

Molecular Properties

Compound Name1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
PubChem CID58704649
Molecular FormulaC27H18F6N8
Molecular Weight568.49 g/mol
Exact Mass568.16
IUPAC Name1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
SMILESFC(F)(F)c1ccn(-c2ccn(C(c3ccccc3)(c3ccccc3)n3ccc(-n4ccc(C(F)(F)F)n4)n3)n2)n1
InChIInChI=1S/C27H18F6N8/c28-26(29,30)21-11-15-38(34-21)23-13-17-40(36-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)41-18-14-24(37-41)39-16-12-22(35-39)27(31,32)33/h1-18H
InChIKeyJYNBEMDBGHTVJH-UHFFFAOYSA-N
XLogP5.79
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 142641849
phenyl-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]silane
CID 159198775
5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 177229961
1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
2-(2,4-difluoro-3-isocyanophenyl)-6-[diphenyl-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine
CID 59646103
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
CID 80902116
2-methyl-1-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 166464937
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733

Frequently Asked Questions

What is the IUPAC name of 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The IUPAC name of 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole (CID 58704649) is 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole.
What is the SMILES notation for 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The canonical SMILES for 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole is FC(F)(F)c1ccn(-c2ccn(C(c3ccccc3)(c3ccccc3)n3ccc(-n4ccc(C(F)(F)F)n4)n3)n2)n1.
What is the InChIKey of 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
The InChIKey is JYNBEMDBGHTVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6N8/c28-26(29,30)21-11-15-38(34-21)23-13-17-40(36-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)41-18-14-24(37-41)39-16-12-22(35-39)27(31,32)33/h1-18H.
What are the key properties of 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole?
1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole has a molecular weight of 568.49 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-1-yl]methyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole is sourced from PubChem (CID 58704649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).