1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C16H17F2N5O — CID 126945908

IUPAC1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3cc(F)cc(F)c3)C2)c1
InChIInChI=1S/C16H17F2N5O/c17-12-3-11(4-13(18)5-12)7-21-8-15(9-21)23-10-14(6-20-23)22-2-1-19-16(22)24/h3-6,10,15H,1-2,7-9H2,(H,19,24)
InChIKeyOXPPXZYLBHAYAM-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945908) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945908
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3cc(F)cc(F)c3)C2)c1
InChIInChI=1S/C16H17F2N5O/c17-12-3-11(4-13(18)5-12)7-21-8-15(9-21)23-10-14(6-20-23)22-2-1-19-16(22)24/h3-6,10,15H,1-2,7-9H2,(H,19,24)
InChIKeyOXPPXZYLBHAYAM-UHFFFAOYSA-N
XLogP1.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945908) is 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cnn(C2CN(Cc3cc(F)cc(F)c3)C2)c1.
What is the InChIKey of 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is OXPPXZYLBHAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c17-12-3-11(4-13(18)5-12)7-21-8-15(9-21)23-10-14(6-20-23)22-2-1-19-16(22)24/h3-6,10,15H,1-2,7-9H2,(H,19,24).
What are the key properties of 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 333.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).