1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole

C15H18FN3 — CID 168515049

IUPAC1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(N3CCCC3)cc2F)n1
InChIInChI=1S/C15H18FN3/c1-11-9-12(2)19(17-11)15-6-5-13(10-14(15)16)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOXCIDSZYBYIMMG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole

1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole (PubChem CID 168515049) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole
PubChem CID168515049
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(N3CCCC3)cc2F)n1
InChIInChI=1S/C15H18FN3/c1-11-9-12(2)19(17-11)15-6-5-13(10-14(15)16)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOXCIDSZYBYIMMG-UHFFFAOYSA-N
XLogP3.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole (CID 168515049) is 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(N3CCCC3)cc2F)n1.
What is the InChIKey of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole?
The InChIKey is OXCIDSZYBYIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-9-12(2)19(17-11)15-6-5-13(10-14(15)16)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole?
1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole has a molecular weight of 259.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 168515049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).