5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole

C32H26F2N4O2 — CID 118708198

IUPAC5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole
SMILESCOc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)cc1
InChIInChI=1S/C32H26F2N4O2/c1-21-31(32(40-28-10-6-7-24(34)19-28)38(35-21)25-8-4-3-5-9-25)30-20-29(22-11-13-23(33)14-12-22)36-37(30)26-15-17-27(39-2)18-16-26/h3-19,30H,20H2,1-2H3
InChIKeyMYUPPARZFOYXLW-UHFFFAOYSA-N
MW536.58 g/mol
LogP7.62
Rot. Bonds7

About 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole

5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole (PubChem CID 118708198) has the molecular formula C32H26F2N4O2 and a molecular weight of 536.58 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole
PubChem CID118708198
Molecular FormulaC32H26F2N4O2
Molecular Weight536.58 g/mol
Exact Mass536.20
IUPAC Name5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole
SMILESCOc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)cc1
InChIInChI=1S/C32H26F2N4O2/c1-21-31(32(40-28-10-6-7-24(34)19-28)38(35-21)25-8-4-3-5-9-25)30-20-29(22-11-13-23(33)14-12-22)36-37(30)26-15-17-27(39-2)18-16-26/h3-19,30H,20H2,1-2H3
InChIKeyMYUPPARZFOYXLW-UHFFFAOYSA-N
XLogP7.62
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.58
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole (CID 118708198) is 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole is COc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)cc1.
What is the InChIKey of 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole?
The InChIKey is MYUPPARZFOYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O2/c1-21-31(32(40-28-10-6-7-24(34)19-28)38(35-21)25-8-4-3-5-9-25)30-20-29(22-11-13-23(33)14-12-22)36-37(30)26-15-17-27(39-2)18-16-26/h3-19,30H,20H2,1-2H3.
What are the key properties of 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole?
5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole has a molecular weight of 536.58 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 118708198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).