[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone

C24H19FN2O3 — CID 134945746

IUPAC[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone
SMILESCOc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C24H19FN2O3/c1-30-22-10-6-5-9-19(22)24(29)27-21(23(28)17-7-3-2-4-8-17)15-20(26-27)16-11-13-18(25)14-12-16/h2-14,21H,15H2,1H3/t21-/m0/s1
InChIKeyMGCSFPDRWSLYFK-NRFANRHFSA-N
MW402.43 g/mol
LogP4.34
Rot. Bonds5

About [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone

[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone (PubChem CID 134945746) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone
PubChem CID134945746
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone
SMILESCOc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C24H19FN2O3/c1-30-22-10-6-5-9-19(22)24(29)27-21(23(28)17-7-3-2-4-8-17)15-20(26-27)16-11-13-18(25)14-12-16/h2-14,21H,15H2,1H3/t21-/m0/s1
InChIKeyMGCSFPDRWSLYFK-NRFANRHFSA-N
XLogP4.34
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The IUPAC name of [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone (CID 134945746) is [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone is COc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The InChIKey is MGCSFPDRWSLYFK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-30-22-10-6-5-9-19(22)24(29)27-21(23(28)17-7-3-2-4-8-17)15-20(26-27)16-11-13-18(25)14-12-16/h2-14,21H,15H2,1H3/t21-/m0/s1.
What are the key properties of [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone?
[(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone has a molecular weight of 402.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-(4-fluorophenyl)-2-(2-methoxybenzoyl)-3,4-dihydropyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 134945746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).