1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole

C32H23F3N4 — CID 70790409

IUPAC1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
SMILESCc1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C32H23F3N4/c1-22-18-20-38(36-22)29-16-8-6-14-27(29)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28-15-7-9-17-30(28)39-21-19-31(37-39)32(33,34)35/h2-21H,1H3
InChIKeyVMJBYIUHWMKTGX-UHFFFAOYSA-N
MW520.56 g/mol
LogP8.39
Rot. Bonds5

About 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole

1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 70790409) has the molecular formula C32H23F3N4 and a molecular weight of 520.56 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID70790409
Molecular FormulaC32H23F3N4
Molecular Weight520.56 g/mol
Exact Mass520.19
IUPAC Name1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
SMILESCc1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C32H23F3N4/c1-22-18-20-38(36-22)29-16-8-6-14-27(29)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28-15-7-9-17-30(28)39-21-19-31(37-39)32(33,34)35/h2-21H,1H3
InChIKeyVMJBYIUHWMKTGX-UHFFFAOYSA-N
XLogP8.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole (CID 70790409) is 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole is Cc1ccn(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is VMJBYIUHWMKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N4/c1-22-18-20-38(36-22)29-16-8-6-14-27(29)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28-15-7-9-17-30(28)39-21-19-31(37-39)32(33,34)35/h2-21H,1H3.
What are the key properties of 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole?
1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 520.56 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70790409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).