4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole

C20H20FN3 — CID 91578755

IUPAC4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole
SMILESFc1ccccc1-c1cccc(C(c2cn[nH]c2)N2CCCC2)c1
InChIInChI=1S/C20H20FN3/c21-19-9-2-1-8-18(19)15-6-5-7-16(12-15)20(17-13-22-23-14-17)24-10-3-4-11-24/h1-2,5-9,12-14,20H,3-4,10-11H2,(H,22,23)
InChIKeyWMPJKTIGKOLEMY-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.40
Rot. Bonds4

About 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole

4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole (PubChem CID 91578755) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole
PubChem CID91578755
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole
SMILESFc1ccccc1-c1cccc(C(c2cn[nH]c2)N2CCCC2)c1
InChIInChI=1S/C20H20FN3/c21-19-9-2-1-8-18(19)15-6-5-7-16(12-15)20(17-13-22-23-14-17)24-10-3-4-11-24/h1-2,5-9,12-14,20H,3-4,10-11H2,(H,22,23)
InChIKeyWMPJKTIGKOLEMY-UHFFFAOYSA-N
XLogP4.40
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole?
The IUPAC name of 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole (CID 91578755) is 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole?
The canonical SMILES for 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole is Fc1ccccc1-c1cccc(C(c2cn[nH]c2)N2CCCC2)c1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole?
The InChIKey is WMPJKTIGKOLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-19-9-2-1-8-18(19)15-6-5-7-16(12-15)20(17-13-22-23-14-17)24-10-3-4-11-24/h1-2,5-9,12-14,20H,3-4,10-11H2,(H,22,23).
What are the key properties of 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole?
4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole has a molecular weight of 321.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)phenyl]-pyrrolidin-1-ylmethyl]-1H-pyrazole is sourced from PubChem (CID 91578755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).