5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide

C24H26F2N4O2 — CID 156574662

IUPAC5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)Oc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-15(2)32-23-8-6-17(26)11-19(23)21-13-18(28-29-21)14-27-24(31)20-12-16(25)5-7-22(20)30-9-3-4-10-30/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyVZNPZFQPRBLDDF-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.67
Rot. Bonds7

About 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide

5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 156574662) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID156574662
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)Oc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-15(2)32-23-8-6-17(26)11-19(23)21-13-18(28-29-21)14-27-24(31)20-12-16(25)5-7-22(20)30-9-3-4-10-30/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyVZNPZFQPRBLDDF-UHFFFAOYSA-N
XLogP4.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide 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 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide (CID 156574662) is 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide is CC(C)Oc1ccc(F)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.
What is the InChIKey of 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is VZNPZFQPRBLDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-15(2)32-23-8-6-17(26)11-19(23)21-13-18(28-29-21)14-27-24(31)20-12-16(25)5-7-22(20)30-9-3-4-10-30/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide?
5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 440.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 156574662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).