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

C25H21FN4 — CID 57391778

IUPAC3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21FN4/c1-17-7-9-18(10-8-17)23-15-24(28-27-23)22-16-30(21-5-3-2-4-6-21)29-25(22)19-11-13-20(26)14-12-19/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1
InChIKeyWYAZIHXBGDGZHU-XMMPIXPASA-N
MW396.47 g/mol
LogP5.43
Rot. Bonds4

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

3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (PubChem CID 57391778) has the molecular formula C25H21FN4 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
PubChem CID57391778
Molecular FormulaC25H21FN4
Molecular Weight396.47 g/mol
Exact Mass396.18
IUPAC Name3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
SMILESCc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21FN4/c1-17-7-9-18(10-8-17)23-15-24(28-27-23)22-16-30(21-5-3-2-4-6-21)29-25(22)19-11-13-20(26)14-12-19/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1
InChIKeyWYAZIHXBGDGZHU-XMMPIXPASA-N
XLogP5.43
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole (CID 57391778) is 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is Cc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
The InChIKey is WYAZIHXBGDGZHU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H21FN4/c1-17-7-9-18(10-8-17)23-15-24(28-27-23)22-16-30(21-5-3-2-4-6-21)29-25(22)19-11-13-20(26)14-12-19/h2-14,16,24,28H,15H2,1H3/t24-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole?
3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole has a molecular weight of 396.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole is sourced from PubChem (CID 57391778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).