[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone

C21H20FN3O — CID 55758691

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3
InChIKeyNLYQDGQEHDIQFM-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.30
Rot. Bonds3

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone (PubChem CID 55758691) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
PubChem CID55758691
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3
InChIKeyNLYQDGQEHDIQFM-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone (CID 55758691) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The InChIKey is NLYQDGQEHDIQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone has a molecular weight of 349.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 55758691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).