[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone

C20H17F2N3O — CID 126795965

IUPAC[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H17F2N3O/c21-16-6-7-19(17(22)12-16)25-11-9-18(23-25)20(26)24-10-8-15(13-24)14-4-2-1-3-5-14/h1-7,9,11-12,15H,8,10,13H2
InChIKeyYCRIILXRKHCEPB-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.78
Rot. Bonds3

About [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone

[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 126795965) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID126795965
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C20H17F2N3O/c21-16-6-7-19(17(22)12-16)25-11-9-18(23-25)20(26)24-10-8-15(13-24)14-4-2-1-3-5-14/h1-7,9,11-12,15H,8,10,13H2
InChIKeyYCRIILXRKHCEPB-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 126795965) is [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC(c2ccccc2)C1.
What is the InChIKey of [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is YCRIILXRKHCEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-16-6-7-19(17(22)12-16)25-11-9-18(23-25)20(26)24-10-8-15(13-24)14-4-2-1-3-5-14/h1-7,9,11-12,15H,8,10,13H2.
What are the key properties of [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 353.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)pyrazol-3-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 126795965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).