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

C18H17ClFN5O — CID 122630754

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1nn(C2CCN(c3cnn(-c4ccc(F)cc4)c3)C2=O)c(C)c1Cl
InChIInChI=1S/C18H17ClFN5O/c1-11-17(19)12(2)25(22-11)16-7-8-23(18(16)26)15-9-21-24(10-15)14-5-3-13(20)4-6-14/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyVUVHFEWKDFQCIW-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.46
Rot. Bonds3

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 122630754) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID122630754
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one
SMILESCc1nn(C2CCN(c3cnn(-c4ccc(F)cc4)c3)C2=O)c(C)c1Cl
InChIInChI=1S/C18H17ClFN5O/c1-11-17(19)12(2)25(22-11)16-7-8-23(18(16)26)15-9-21-24(10-15)14-5-3-13(20)4-6-14/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyVUVHFEWKDFQCIW-UHFFFAOYSA-N
XLogP3.46
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one (CID 122630754) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one is Cc1nn(C2CCN(c3cnn(-c4ccc(F)cc4)c3)C2=O)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is VUVHFEWKDFQCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-11-17(19)12(2)25(22-11)16-7-8-23(18(16)26)15-9-21-24(10-15)14-5-3-13(20)4-6-14/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 373.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 122630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).