5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one

C19H17F2N3O — CID 135355186

IUPAC5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3(F)F)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C19H17F2N3O/c1-23-12-17(16(7-18(23)25)13-5-3-2-4-6-13)14-9-22-24(10-14)11-15-8-19(15,20)21/h2-7,9-10,12,15H,8,11H2,1H3
InChIKeyWMZQOWIFXTVGFQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.57
Rot. Bonds4

About 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one

5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355186) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
PubChem CID135355186
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3(F)F)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C19H17F2N3O/c1-23-12-17(16(7-18(23)25)13-5-3-2-4-6-13)14-9-22-24(10-14)11-15-8-19(15,20)21/h2-7,9-10,12,15H,8,11H2,1H3
InChIKeyWMZQOWIFXTVGFQ-UHFFFAOYSA-N
XLogP3.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (CID 135355186) is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn(CC3CC3(F)F)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The InChIKey is WMZQOWIFXTVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-23-12-17(16(7-18(23)25)13-5-3-2-4-6-13)14-9-22-24(10-14)11-15-8-19(15,20)21/h2-7,9-10,12,15H,8,11H2,1H3.
What are the key properties of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).