4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one

C19H20FN5O — CID 146042252

IUPAC4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(n2ccnc2-c2cc(F)ccc2-n2cccn2)CC1=O
InChIInChI=1S/C19H20FN5O/c1-2-8-23-13-15(12-18(23)26)24-10-7-21-19(24)16-11-14(20)4-5-17(16)25-9-3-6-22-25/h3-7,9-11,15H,2,8,12-13H2,1H3
InChIKeyGVFHMSVETNABOX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.06
Rot. Bonds5

About 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one

4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one (PubChem CID 146042252) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one
PubChem CID146042252
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(n2ccnc2-c2cc(F)ccc2-n2cccn2)CC1=O
InChIInChI=1S/C19H20FN5O/c1-2-8-23-13-15(12-18(23)26)24-10-7-21-19(24)16-11-14(20)4-5-17(16)25-9-3-6-22-25/h3-7,9-11,15H,2,8,12-13H2,1H3
InChIKeyGVFHMSVETNABOX-UHFFFAOYSA-N
XLogP3.06
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one (CID 146042252) is 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one is CCCN1CC(n2ccnc2-c2cc(F)ccc2-n2cccn2)CC1=O.
What is the InChIKey of 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one?
The InChIKey is GVFHMSVETNABOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-8-23-13-15(12-18(23)26)24-10-7-21-19(24)16-11-14(20)4-5-17(16)25-9-3-6-22-25/h3-7,9-11,15H,2,8,12-13H2,1H3.
What are the key properties of 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one?
4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 146042252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).