3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole

C25H21FN4O — CID 57399423

IUPAC3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCOc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21FN4O/c1-31-21-13-9-17(10-14-21)23-15-24(28-27-23)22-16-30(20-5-3-2-4-6-20)29-25(22)18-7-11-19(26)12-8-18/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1
InChIKeyVHUOPHKGIJRFTF-XMMPIXPASA-N
MW412.47 g/mol
LogP5.13
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole

3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (PubChem CID 57399423) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
PubChem CID57399423
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCOc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21FN4O/c1-31-21-13-9-17(10-14-21)23-15-24(28-27-23)22-16-30(20-5-3-2-4-6-20)29-25(22)18-7-11-19(26)12-8-18/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1
InChIKeyVHUOPHKGIJRFTF-XMMPIXPASA-N
XLogP5.13
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (CID 57399423) is 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is COc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The InChIKey is VHUOPHKGIJRFTF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H21FN4O/c1-31-21-13-9-17(10-14-21)23-15-24(28-27-23)22-16-30(20-5-3-2-4-6-20)29-25(22)18-7-11-19(26)12-8-18/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole has a molecular weight of 412.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is sourced from PubChem (CID 57399423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).