3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine

C42H29F3N6 — CID 71076223

IUPAC3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
SMILESCc1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C42H29F3N6/c1-28-24-39(50(48-28)29-12-4-2-5-13-29)35-18-10-8-16-31(35)37-26-46-22-20-33(37)34-21-23-47-27-38(34)32-17-9-11-19-36(32)40-25-41(42(43,44)45)49-51(40)30-14-6-3-7-15-30/h2-27H,1H3
InChIKeyAPFYWZKIZXETOZ-UHFFFAOYSA-N
MW674.73 g/mol
LogP10.51
Rot. Bonds7

About 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine

3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine (PubChem CID 71076223) has the molecular formula C42H29F3N6 and a molecular weight of 674.73 g/mol. Its IUPAC name is 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine.

Molecular Properties

Compound Name3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
PubChem CID71076223
Molecular FormulaC42H29F3N6
Molecular Weight674.73 g/mol
Exact Mass674.24
IUPAC Name3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
SMILESCc1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C42H29F3N6/c1-28-24-39(50(48-28)29-12-4-2-5-13-29)35-18-10-8-16-31(35)37-26-46-22-20-33(37)34-21-23-47-27-38(34)32-17-9-11-19-36(32)40-25-41(42(43,44)45)49-51(40)30-14-6-3-7-15-30/h2-27H,1H3
InChIKeyAPFYWZKIZXETOZ-UHFFFAOYSA-N
XLogP10.51
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The IUPAC name of 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine (CID 71076223) is 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine.
What is the SMILES notation for 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The canonical SMILES for 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine is Cc1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The InChIKey is APFYWZKIZXETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29F3N6/c1-28-24-39(50(48-28)29-12-4-2-5-13-29)35-18-10-8-16-31(35)37-26-46-22-20-33(37)34-21-23-47-27-38(34)32-17-9-11-19-36(32)40-25-41(42(43,44)45)49-51(40)30-14-6-3-7-15-30/h2-27H,1H3.
What are the key properties of 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine has a molecular weight of 674.73 g/mol, XLogP of 10.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-2-phenylpyrazol-3-yl)phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine is sourced from PubChem (CID 71076223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).