(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

C23H18F2N2O — CID 2952491

IUPAC(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2=NN(C(=O)c3ccccc3F)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C23H18F2N2O/c1-15-10-12-16(13-11-15)21-14-22(17-6-2-4-8-19(17)24)27(26-21)23(28)18-7-3-5-9-20(18)25/h2-13,22H,14H2,1H3
InChIKeyHQVSYDCPHPKQMR-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.26
Rot. Bonds3

About (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 2952491) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID2952491
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2=NN(C(=O)c3ccccc3F)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C23H18F2N2O/c1-15-10-12-16(13-11-15)21-14-22(17-6-2-4-8-19(17)24)27(26-21)23(28)18-7-3-5-9-20(18)25/h2-13,22H,14H2,1H3
InChIKeyHQVSYDCPHPKQMR-UHFFFAOYSA-N
XLogP5.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 2952491) is (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(C2=NN(C(=O)c3ccccc3F)C(c3ccccc3F)C2)cc1.
What is the InChIKey of (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is HQVSYDCPHPKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O/c1-15-10-12-16(13-11-15)21-14-22(17-6-2-4-8-19(17)24)27(26-21)23(28)18-7-3-5-9-20(18)25/h2-13,22H,14H2,1H3.
What are the key properties of (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?
(2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 376.41 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 2952491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).