[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid

About [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid

[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid (PubChem CID 155971925) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid.

Molecular Properties

Compound Name	[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid
PubChem CID	155971925
Molecular Formula	C23H24FN3O4
Molecular Weight	425.46 g/mol
Exact Mass	425.18
IUPAC Name	[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid
SMILES	Cc1cc(C[C@@H]2CN(C(=O)c3cccc(-c4cccc(F)c4)c3)C[C@@H]2O)n[nH]1.O=CO
InChI	InChI=1S/C22H22FN3O2.CH2O2/c1-14-8-20(25-24-14)11-18-12-26(13-21(18)27)22(28)17-6-2-4-15(9-17)16-5-3-7-19(23)10-16;2-1-3/h2-10,18,21,27H,11-13H2,1H3,(H,24,25);1H,(H,2,3)/t18-,21+;/m1./s1
InChIKey	VRKBIPLYBNBZQO-WKOQGQMTSA-N
XLogP	2.90
TPSA	106.52 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid?

The IUPAC name of [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid (CID 155971925) is [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid.

What is the SMILES notation for [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid?

The canonical SMILES for [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid is Cc1cc(C[C@@H]2CN(C(=O)c3cccc(-c4cccc(F)c4)c3)C[C@@H]2O)n[nH]1.O=CO.

What is the InChIKey of [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid?

The InChIKey is VRKBIPLYBNBZQO-WKOQGQMTSA-N. The full InChI is InChI=1S/C22H22FN3O2.CH2O2/c1-14-8-20(25-24-14)11-18-12-26(13-21(18)27)22(28)17-6-2-4-15(9-17)16-5-3-7-19(23)10-16;2-1-3/h2-10,18,21,27H,11-13H2,1H3,(H,24,25);1H,(H,2,3)/t18-,21+;/m1./s1.

What are the key properties of [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid?

[3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid has a molecular weight of 425.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone;formic acid is sourced from PubChem (CID 155971925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).