5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol

C16H19F2N3O — CID 128963674

IUPAC5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
SMILESCc1cnn(CCN2CC(O)CC2c2cc(F)ccc2F)c1
InChIInChI=1S/C16H19F2N3O/c1-11-8-19-21(9-11)5-4-20-10-13(22)7-16(20)14-6-12(17)2-3-15(14)18/h2-3,6,8-9,13,16,22H,4-5,7,10H2,1H3
InChIKeyJNJXETIOJUKSIU-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.28
Rot. Bonds4

About 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol

5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol (PubChem CID 128963674) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
PubChem CID128963674
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
SMILESCc1cnn(CCN2CC(O)CC2c2cc(F)ccc2F)c1
InChIInChI=1S/C16H19F2N3O/c1-11-8-19-21(9-11)5-4-20-10-13(22)7-16(20)14-6-12(17)2-3-15(14)18/h2-3,6,8-9,13,16,22H,4-5,7,10H2,1H3
InChIKeyJNJXETIOJUKSIU-UHFFFAOYSA-N
XLogP2.28
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol (CID 128963674) is 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol is Cc1cnn(CCN2CC(O)CC2c2cc(F)ccc2F)c1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is JNJXETIOJUKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-11-8-19-21(9-11)5-4-20-10-13(22)7-16(20)14-6-12(17)2-3-15(14)18/h2-3,6,8-9,13,16,22H,4-5,7,10H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol?
5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 307.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 128963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).