1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one

C18H23FN4O2 — CID 111119242

IUPAC1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCc1nn(CCO)c(C)c1CNC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H23FN4O2/c1-12-14(13(2)23(21-12)9-10-24)11-20-16-7-8-22(18(16)25)17-6-4-3-5-15(17)19/h3-6,16,20,24H,7-11H2,1-2H3
InChIKeyUFWGLHBADWANFH-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.53
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one

1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one (PubChem CID 111119242) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
PubChem CID111119242
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCc1nn(CCO)c(C)c1CNC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H23FN4O2/c1-12-14(13(2)23(21-12)9-10-24)11-20-16-7-8-22(18(16)25)17-6-4-3-5-15(17)19/h3-6,16,20,24H,7-11H2,1-2H3
InChIKeyUFWGLHBADWANFH-UHFFFAOYSA-N
XLogP1.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one (CID 111119242) is 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one is Cc1nn(CCO)c(C)c1CNC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The InChIKey is UFWGLHBADWANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-14(13(2)23(21-12)9-10-24)11-20-16-7-8-22(18(16)25)17-6-4-3-5-15(17)19/h3-6,16,20,24H,7-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 111119242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).