4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole

C31H25FN4 — CID 71600593

IUPAC4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25FN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-8-4-2-5-9-26)30-20-29(23-16-18-25(32)19-17-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3
InChIKeyNLLAXAASNOQPAF-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.34
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole

4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole (PubChem CID 71600593) has the molecular formula C31H25FN4 and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole
PubChem CID71600593
Molecular FormulaC31H25FN4
Molecular Weight472.57 g/mol
Exact Mass472.21
IUPAC Name4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25FN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-8-4-2-5-9-26)30-20-29(23-16-18-25(32)19-17-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3
InChIKeyNLLAXAASNOQPAF-UHFFFAOYSA-N
XLogP7.34
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole (CID 71600593) is 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole is Cc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole?
The InChIKey is NLLAXAASNOQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4/c1-22-12-14-24(15-13-22)31-28(21-35(34-31)26-8-4-2-5-9-26)30-20-29(23-16-18-25(32)19-17-23)33-36(30)27-10-6-3-7-11-27/h2-19,21,30H,20H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole?
4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole has a molecular weight of 472.57 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 71600593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).