[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone

C21H19F2N3O — CID 10126244

IUPAC[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CC=CC1
InChIInChI=1S/C21H19F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-10,13H,11-12,14H2,1H3
InChIKeyODXWMEHUBMXXON-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.28
Rot. Bonds2

About [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone

[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 10126244) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID10126244
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CC=CC1
InChIInChI=1S/C21H19F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-10,13H,11-12,14H2,1H3
InChIKeyODXWMEHUBMXXON-UHFFFAOYSA-N
XLogP4.28
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone (CID 10126244) is [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone is CC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CC=CC1.
What is the InChIKey of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is ODXWMEHUBMXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-21(15-7-3-2-4-8-15)14-19(17-13-16(22)9-10-18(17)23)24-26(21)20(27)25-11-5-6-12-25/h2-10,13H,11-12,14H2,1H3.
What are the key properties of [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
[3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 367.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluorophenyl)-5-methyl-5-phenyl-4H-pyrazol-1-yl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 10126244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).