3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide

C26H25FN4O2 — CID 46042924

IUPAC3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccccc1-n1nc(C)c(CCC(=O)NCc2ccccn2)c1Oc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-18-8-3-4-12-24(18)31-26(33-22-11-7-9-20(27)16-22)23(19(2)30-31)13-14-25(32)29-17-21-10-5-6-15-28-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,29,32)
InChIKeyMRABFBAUHPGBPZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.06
Rot. Bonds8

About 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 46042924) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID46042924
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccccc1-n1nc(C)c(CCC(=O)NCc2ccccn2)c1Oc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-18-8-3-4-12-24(18)31-26(33-22-11-7-9-20(27)16-22)23(19(2)30-31)13-14-25(32)29-17-21-10-5-6-15-28-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,29,32)
InChIKeyMRABFBAUHPGBPZ-UHFFFAOYSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide 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 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 46042924) is 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccccc1-n1nc(C)c(CCC(=O)NCc2ccccn2)c1Oc1cccc(F)c1.
What is the InChIKey of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is MRABFBAUHPGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-18-8-3-4-12-24(18)31-26(33-22-11-7-9-20(27)16-22)23(19(2)30-31)13-14-25(32)29-17-21-10-5-6-15-28-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,29,32).
What are the key properties of 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 444.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 46042924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).